(2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide

C100H102F8N24O20S — CID 160784449

IUPAC(2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide
SMILESC[C@H](Cc1cc2c(s1)-c1nc(N3C(=O)OC[C@H]3C(F)F)cn1CCO2)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C(F)F)c1C#N)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C(F)F)c1C1CC1)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C)c1C#N)C(N)=O.N#Cc1c(N2C(=O)OC[C@H]2C(F)F)nc2n1CCOc1cc(N3CCC[C@H]3C(N)=O)ccc1-2
InChIInChI=1S/C22H24F2N4O4.C21H20F2N6O4.C20H19F2N5O4.C20H21N5O4.C17H18F2N4O4S/c1-11(19(25)29)8-12-2-5-14-16(9-12)31-7-6-27-17(13-3-4-13)21(26-20(14)27)28-15(18(23)24)10-32-22(28)30;22-17(23)15-10-33-21(31)29(15)20-14(9-24)28-6-7-32-16-8-11(3-4-12(16)19(28)26-20)27-5-1-2-13(27)18(25)30;1-10(17(24)28)6-11-2-3-12-15(7-11)30-5-4-26-13(8-23)19(25-18(12)26)27-14(16(21)22)9-31-20(27)29;1-11(17(22)26)7-13-3-4-14-16(8-13)28-6-5-24-15(9-21)19(23-18(14)24)25-12(2)10-29-20(25)27;1-8(15(20)24)4-9-5-11-13(28-9)16-21-12(6-22(16)2-3-26-11)23-10(14(18)19)7-27-17(23)25/h2,5,9,11,13,15,18H,3-4,6-8,10H2,1H3,(H2,25,29);3-4,8,13,15,17H,1-2,5-7,10H2,(H2,25,30);2-3,7,10,14,16H,4-6,9H2,1H3,(H2,24,28);3-4,8,11-12H,5-7,10H2,1-2H3,(H2,22,26);5-6,8,10,14H,2-4,7H2,1H3,(H2,20,24)/t11-,15+;13-,15-;10-,14+;11-,12-;8-,10+/m10111/s1
InChIKeySBAFTDWNFBGXAV-NFXDRRKPSA-N
MW2144.11 g/mol
LogP11.08
Rot. Bonds24

About (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide

(2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide (PubChem CID 160784449) has the molecular formula C100H102F8N24O20S and a molecular weight of 2144.11 g/mol. Its IUPAC name is (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide
PubChem CID160784449
Molecular FormulaC100H102F8N24O20S
Molecular Weight2144.11 g/mol
Exact Mass2142.73
IUPAC Name(2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide
SMILESC[C@H](Cc1cc2c(s1)-c1nc(N3C(=O)OC[C@H]3C(F)F)cn1CCO2)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C(F)F)c1C#N)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C(F)F)c1C1CC1)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C)c1C#N)C(N)=O.N#Cc1c(N2C(=O)OC[C@H]2C(F)F)nc2n1CCOc1cc(N3CCC[C@H]3C(N)=O)ccc1-2
InChIInChI=1S/C22H24F2N4O4.C21H20F2N6O4.C20H19F2N5O4.C20H21N5O4.C17H18F2N4O4S/c1-11(19(25)29)8-12-2-5-14-16(9-12)31-7-6-27-17(13-3-4-13)21(26-20(14)27)28-15(18(23)24)10-32-22(28)30;22-17(23)15-10-33-21(31)29(15)20-14(9-24)28-6-7-32-16-8-11(3-4-12(16)19(28)26-20)27-5-1-2-13(27)18(25)30;1-10(17(24)28)6-11-2-3-12-15(7-11)30-5-4-26-13(8-23)19(25-18(12)26)27-14(16(21)22)9-31-20(27)29;1-11(17(22)26)7-13-3-4-14-16(8-13)28-6-5-24-15(9-21)19(23-18(14)24)25-12(2)10-29-20(25)27;1-8(15(20)24)4-9-5-11-13(28-9)16-21-12(6-22(16)2-3-26-11)23-10(14(18)19)7-27-17(23)25/h2,5,9,11,13,15,18H,3-4,6-8,10H2,1H3,(H2,25,29);3-4,8,13,15,17H,1-2,5-7,10H2,(H2,25,30);2-3,7,10,14,16H,4-6,9H2,1H3,(H2,24,28);3-4,8,11-12H,5-7,10H2,1-2H3,(H2,22,26);5-6,8,10,14H,2-4,7H2,1H3,(H2,20,24)/t11-,15+;13-,15-;10-,14+;11-,12-;8-,10+/m10111/s1
InChIKeySBAFTDWNFBGXAV-NFXDRRKPSA-N
XLogP11.08
TPSA573.01 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002144.11
LogP ≤ 511.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide?
The IUPAC name of (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide (CID 160784449) is (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide.
What is the SMILES notation for (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide?
The canonical SMILES for (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide is C[C@H](Cc1cc2c(s1)-c1nc(N3C(=O)OC[C@H]3C(F)F)cn1CCO2)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C(F)F)c1C#N)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C(F)F)c1C1CC1)C(N)=O.C[C@H](Cc1ccc2c(c1)OCCn1c-2nc(N2C(=O)OC[C@H]2C)c1C#N)C(N)=O.N#Cc1c(N2C(=O)OC[C@H]2C(F)F)nc2n1CCOc1cc(N3CCC[C@H]3C(N)=O)ccc1-2.
What is the InChIKey of (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide?
The InChIKey is SBAFTDWNFBGXAV-NFXDRRKPSA-N. The full InChI is InChI=1S/C22H24F2N4O4.C21H20F2N6O4.C20H19F2N5O4.C20H21N5O4.C17H18F2N4O4S/c1-11(19(25)29)8-12-2-5-14-16(9-12)31-7-6-27-17(13-3-4-13)21(26-20(14)27)28-15(18(23)24)10-32-22(28)30;22-17(23)15-10-33-21(31)29(15)20-14(9-24)28-6-7-32-16-8-11(3-4-12(16)19(28)26-20)27-5-1-2-13(27)18(25)30;1-10(17(24)28)6-11-2-3-12-15(7-11)30-5-4-26-13(8-23)19(25-18(12)26)27-14(16(21)22)9-31-20(27)29;1-11(17(22)26)7-13-3-4-14-16(8-13)28-6-5-24-15(9-21)19(23-18(14)24)25-12(2)10-29-20(25)27;1-8(15(20)24)4-9-5-11-13(28-9)16-21-12(6-22(16)2-3-26-11)23-10(14(18)19)7-27-17(23)25/h2,5,9,11,13,15,18H,3-4,6-8,10H2,1H3,(H2,25,29);3-4,8,13,15,17H,1-2,5-7,10H2,(H2,25,30);2-3,7,10,14,16H,4-6,9H2,1H3,(H2,24,28);3-4,8,11-12H,5-7,10H2,1-2H3,(H2,22,26);5-6,8,10,14H,2-4,7H2,1H3,(H2,20,24)/t11-,15+;13-,15-;10-,14+;11-,12-;8-,10+/m10111/s1.
What are the key properties of (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide?
(2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide has a molecular weight of 2144.11 g/mol, XLogP of 11.08, 24 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2S)-1-[3-cyano-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide;(2R)-3-[3-cyano-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[3-cyclopropyl-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide;(2R)-3-[4-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-13-thia-3,6-diazatricyclo[8.3.0.02,6]trideca-1(10),2,4,11-tetraen-12-yl]-2-methylpropanamide is sourced from PubChem (CID 160784449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).