(5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C182H173F10N63O27S2 — CID 158309481

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3csc(Cn4ccnc4)n3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-c3nc(Cn4ccnc4)co3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-c3nc(Cn4ccnc4)cs3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4cccn4)cn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4ccnc4)cn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cc(Cn4cccn4)cn3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cc(Cn4ccnc4)cn3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/3C19H19FN6O3.C19H18FN5O4.2C19H18FN5O3S.3C17H15FN8O2.C17H17FN6O2/c1-13(27)21-8-16-11-26(19(28)29-16)15-3-4-18(17(20)7-15)24-9-14(22-12-24)10-25-6-2-5-23-25;1-13(27)21-9-16-12-25(19(28)29-16)15-3-4-18(17(20)7-15)26-11-14(8-23-26)10-24-6-2-5-22-24;1-13(27)22-8-16-11-25(19(28)29-16)15-2-3-18(17(20)6-15)26-10-14(7-23-26)9-24-5-4-21-12-24;1-12(26)22-7-15-9-25(19(27)29-15)14-2-3-16(17(20)6-14)18-23-13(10-28-18)8-24-5-4-21-11-24;1-12(26)22-7-15-9-25(19(27)28-15)14-2-3-16(17(20)6-14)18-23-13(10-29-18)8-24-5-4-21-11-24;1-12(26)22-7-14-8-25(19(27)28-14)13-2-3-15(16(20)6-13)17-10-29-18(23-17)9-24-5-4-21-11-24;18-15-6-13(26-10-14(7-21-23-19)28-17(26)27)2-3-16(15)24-8-12(20-11-24)9-25-5-1-4-22-25;18-15-6-13(25-11-14(8-20-23-19)28-17(25)27)2-3-16(15)26-10-12(7-22-26)9-24-5-1-4-21-24;18-15-5-13(25-10-14(7-21-23-19)28-17(25)27)1-2-16(15)26-9-12(6-22-26)8-24-4-3-20-11-24;18-15-6-13(24-10-14(7-19)26-17(24)25)2-3-16(15)22-8-12(20-11-22)9-23-5-1-4-21-23/h2-7,9,12,16H,8,10-11H2,1H3,(H,21,27);2-8,11,16H,9-10,12H2,1H3,(H,21,27);2-7,10,12,16H,8-9,11H2,1H3,(H,22,27);2*2-6,10-11,15H,7-9H2,1H3,(H,22,26);2-6,10-11,14H,7-9H2,1H3,(H,22,26);1-6,8,11,14H,7,9-10H2;1-7,10,14H,8-9,11H2;1-6,9,11,14H,7-8,10H2;1-6,8,11,14H,7,9-10,19H2/t3*16-;2*15-;5*14-/m0000000000/s1
InChIKeyGNMPXBOBICIWTK-AQYJARPXSA-N
MW3928.91 g/mol
LogP22.87
Rot. Bonds59

About (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

(5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 158309481) has the molecular formula C182H173F10N63O27S2 and a molecular weight of 3928.91 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID158309481
Molecular FormulaC182H173F10N63O27S2
Molecular Weight3928.91 g/mol
Exact Mass3926.34
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3csc(Cn4ccnc4)n3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-c3nc(Cn4ccnc4)co3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-c3nc(Cn4ccnc4)cs3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4cccn4)cn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4ccnc4)cn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cc(Cn4cccn4)cn3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cc(Cn4ccnc4)cn3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1
InChIInChI=1S/3C19H19FN6O3.C19H18FN5O4.2C19H18FN5O3S.3C17H15FN8O2.C17H17FN6O2/c1-13(27)21-8-16-11-26(19(28)29-16)15-3-4-18(17(20)7-15)24-9-14(22-12-24)10-25-6-2-5-23-25;1-13(27)21-9-16-12-25(19(28)29-16)15-3-4-18(17(20)7-15)26-11-14(8-23-26)10-24-6-2-5-22-24;1-13(27)22-8-16-11-25(19(28)29-16)15-2-3-18(17(20)6-15)26-10-14(7-23-26)9-24-5-4-21-12-24;1-12(26)22-7-15-9-25(19(27)29-15)14-2-3-16(17(20)6-14)18-23-13(10-28-18)8-24-5-4-21-11-24;1-12(26)22-7-15-9-25(19(27)28-15)14-2-3-16(17(20)6-14)18-23-13(10-29-18)8-24-5-4-21-11-24;1-12(26)22-7-14-8-25(19(27)28-14)13-2-3-15(16(20)6-13)17-10-29-18(23-17)9-24-5-4-21-11-24;18-15-6-13(26-10-14(7-21-23-19)28-17(26)27)2-3-16(15)24-8-12(20-11-24)9-25-5-1-4-22-25;18-15-6-13(25-11-14(8-20-23-19)28-17(25)27)2-3-16(15)26-10-12(7-22-26)9-24-5-1-4-21-24;18-15-5-13(25-10-14(7-21-23-19)28-17(25)27)1-2-16(15)26-9-12(6-22-26)8-24-4-3-20-11-24;18-15-6-13(24-10-14(7-19)26-17(24)25)2-3-16(15)22-8-12(20-11-22)9-23-5-1-4-21-23/h2-7,9,12,16H,8,10-11H2,1H3,(H,21,27);2-8,11,16H,9-10,12H2,1H3,(H,21,27);2-7,10,12,16H,8-9,11H2,1H3,(H,22,27);2*2-6,10-11,15H,7-9H2,1H3,(H,22,26);2-6,10-11,14H,7-9H2,1H3,(H,22,26);1-6,8,11,14H,7,9-10H2;1-7,10,14H,8-9,11H2;1-6,9,11,14H,7-8,10H2;1-6,8,11,14H,7,9-10,19H2/t3*16-;2*15-;5*14-/m0000000000/s1
InChIKeyGNMPXBOBICIWTK-AQYJARPXSA-N
XLogP22.87
TPSA997.05 Ų
H-Bond Donors7
H-Bond Acceptors70
Rotatable Bonds59
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003928.91
LogP ≤ 522.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1070

Analyze (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 158309481) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3csc(Cn4ccnc4)n3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-c3nc(Cn4ccnc4)co3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-c3nc(Cn4ccnc4)cs3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4cccn4)cn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4ccnc4)cn3)c(F)c2)C(=O)O1.CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cc(Cn4cccn4)cn3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cc(Cn4ccnc4)cn3)c(F)c2)C(=O)O1.[N-]=[N+]=NC[C@H]1CN(c2ccc(-n3cnc(Cn4cccn4)c3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GNMPXBOBICIWTK-AQYJARPXSA-N. The full InChI is InChI=1S/3C19H19FN6O3.C19H18FN5O4.2C19H18FN5O3S.3C17H15FN8O2.C17H17FN6O2/c1-13(27)21-8-16-11-26(19(28)29-16)15-3-4-18(17(20)7-15)24-9-14(22-12-24)10-25-6-2-5-23-25;1-13(27)21-9-16-12-25(19(28)29-16)15-3-4-18(17(20)7-15)26-11-14(8-23-26)10-24-6-2-5-22-24;1-13(27)22-8-16-11-25(19(28)29-16)15-2-3-18(17(20)6-15)26-10-14(7-23-26)9-24-5-4-21-12-24;1-12(26)22-7-15-9-25(19(27)29-15)14-2-3-16(17(20)6-14)18-23-13(10-28-18)8-24-5-4-21-11-24;1-12(26)22-7-15-9-25(19(27)28-15)14-2-3-16(17(20)6-14)18-23-13(10-29-18)8-24-5-4-21-11-24;1-12(26)22-7-14-8-25(19(27)28-14)13-2-3-15(16(20)6-13)17-10-29-18(23-17)9-24-5-4-21-11-24;18-15-6-13(26-10-14(7-21-23-19)28-17(26)27)2-3-16(15)24-8-12(20-11-24)9-25-5-1-4-22-25;18-15-6-13(25-11-14(8-20-23-19)28-17(25)27)2-3-16(15)26-10-12(7-22-26)9-24-5-1-4-21-24;18-15-5-13(25-10-14(7-21-23-19)28-17(25)27)1-2-16(15)26-9-12(6-22-26)8-24-4-3-20-11-24;18-15-6-13(24-10-14(7-19)26-17(24)25)2-3-16(15)22-8-12(20-11-22)9-23-5-1-4-21-23/h2-7,9,12,16H,8,10-11H2,1H3,(H,21,27);2-8,11,16H,9-10,12H2,1H3,(H,21,27);2-7,10,12,16H,8-9,11H2,1H3,(H,22,27);2*2-6,10-11,15H,7-9H2,1H3,(H,22,26);2-6,10-11,14H,7-9H2,1H3,(H,22,26);1-6,8,11,14H,7,9-10H2;1-7,10,14H,8-9,11H2;1-6,9,11,14H,7-8,10H2;1-6,8,11,14H,7,9-10,19H2/t3*16-;2*15-;5*14-/m0000000000/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 3928.91 g/mol, XLogP of 22.87, 59 rotatable bonds, 7 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-1,3-oxazolidin-2-one;(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[2-(imidazol-1-ylmethyl)-1,3-thiazol-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-1,3-thiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 158309481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).