(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane

C91H110Cl2F6N14O18 — CID 159402639

IUPAC(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane
SMILESC.CC(=O)CC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.Nc1ccc(N2CCOCC2)c(F)c1.O=C1O[C@@H](CCl)CN1c1ccc(N2CCOCC2)c(F)c1.O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O[C@@H](CCl)CNc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C22H20FN3O5.C17H21FN2O4.C14H16ClFN2O3.C14H18FN3O3.C13H18ClFN2O2.C10H13FN2O.CH4/c23-18-11-14(5-6-19(18)24-7-9-30-10-8-24)25-12-15(31-22(25)29)13-26-20(27)16-3-1-2-4-17(16)21(26)28;1-12(21)2-4-14-11-20(17(22)24-14)13-3-5-16(15(18)10-13)19-6-8-23-9-7-19;15-8-11-9-18(14(19)21-11)10-1-2-13(12(16)7-10)17-3-5-20-6-4-17;15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17;14-8-11(18)9-16-10-1-2-13(12(15)7-10)17-3-5-19-6-4-17;11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13;/h1-6,11,15H,7-10,12-13H2;3,5,10,14H,2,4,6-9,11H2,1H3;1-2,7,11H,3-6,8-9H2;1-2,7,11H,3-6,8-9,16H2;1-2,7,11,16,18H,3-6,8-9H2;1-2,7H,3-6,12H2;1H4/t15-;14-;3*11-;;/m10000../s1
InChIKeyLNNSQAMDAGKCDC-DUKVULFPSA-N
MW1872.85 g/mol
LogP11.37
Rot. Bonds21

About (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane

(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane (PubChem CID 159402639) has the molecular formula C91H110Cl2F6N14O18 and a molecular weight of 1872.85 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane
PubChem CID159402639
Molecular FormulaC91H110Cl2F6N14O18
Molecular Weight1872.85 g/mol
Exact Mass1870.74
IUPAC Name(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane
SMILESC.CC(=O)CC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.Nc1ccc(N2CCOCC2)c(F)c1.O=C1O[C@@H](CCl)CN1c1ccc(N2CCOCC2)c(F)c1.O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O[C@@H](CCl)CNc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C22H20FN3O5.C17H21FN2O4.C14H16ClFN2O3.C14H18FN3O3.C13H18ClFN2O2.C10H13FN2O.CH4/c23-18-11-14(5-6-19(18)24-7-9-30-10-8-24)25-12-15(31-22(25)29)13-26-20(27)16-3-1-2-4-17(16)21(26)28;1-12(21)2-4-14-11-20(17(22)24-14)13-3-5-16(15(18)10-13)19-6-8-23-9-7-19;15-8-11-9-18(14(19)21-11)10-1-2-13(12(16)7-10)17-3-5-20-6-4-17;15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17;14-8-11(18)9-16-10-1-2-13(12(15)7-10)17-3-5-19-6-4-17;11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13;/h1-6,11,15H,7-10,12-13H2;3,5,10,14H,2,4,6-9,11H2,1H3;1-2,7,11H,3-6,8-9H2;1-2,7,11H,3-6,8-9,16H2;1-2,7,11,16,18H,3-6,8-9H2;1-2,7H,3-6,12H2;1H4/t15-;14-;3*11-;;/m10000../s1
InChIKeyLNNSQAMDAGKCDC-DUKVULFPSA-N
XLogP11.37
TPSA331.73 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.85
LogP ≤ 511.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-2-(chloromethyl)oxirane;deuterio(iodo)methane;3-fluoro-4-morpholin-4-ylaniline;(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl acetate;methane
CID 167533780
(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 158962850
(5S)-3-[3-fluoro-4-(2-propan-2-yl-1,2,5-oxadiazepan-5-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 147769623
2-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 59410776
(5S)-3-[3-fluoro-4-(2-phenacyl-1,2,5-oxadiazepan-5-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159204149
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58372627
(5S)-3-[3-fluoro-4-[1-[(4-morpholin-4-ylphenyl)methyl]-1,2,5-triazepan-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159679596
(5S)-3-[3-fluoro-4-[2-(2-hydroxyethyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159778683
(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158399329
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019
methyl 2-[5-[2-fluoro-4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-1,2,5-oxadiazepan-2-yl]acetate
CID 157386542
(5S)-5-[4-(2,3-dihydroxyphenyl)-3-oxobutyl]-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 148813347

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane?
The IUPAC name of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane (CID 159402639) is (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane?
The canonical SMILES for (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane is C.CC(=O)CC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.Nc1ccc(N2CCOCC2)c(F)c1.O=C1O[C@@H](CCl)CN1c1ccc(N2CCOCC2)c(F)c1.O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1.O[C@@H](CCl)CNc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane?
The InChIKey is LNNSQAMDAGKCDC-DUKVULFPSA-N. The full InChI is InChI=1S/C22H20FN3O5.C17H21FN2O4.C14H16ClFN2O3.C14H18FN3O3.C13H18ClFN2O2.C10H13FN2O.CH4/c23-18-11-14(5-6-19(18)24-7-9-30-10-8-24)25-12-15(31-22(25)29)13-26-20(27)16-3-1-2-4-17(16)21(26)28;1-12(21)2-4-14-11-20(17(22)24-14)13-3-5-16(15(18)10-13)19-6-8-23-9-7-19;15-8-11-9-18(14(19)21-11)10-1-2-13(12(16)7-10)17-3-5-20-6-4-17;15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17;14-8-11(18)9-16-10-1-2-13(12(15)7-10)17-3-5-19-6-4-17;11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13;/h1-6,11,15H,7-10,12-13H2;3,5,10,14H,2,4,6-9,11H2,1H3;1-2,7,11H,3-6,8-9H2;1-2,7,11H,3-6,8-9,16H2;1-2,7,11,16,18H,3-6,8-9H2;1-2,7H,3-6,12H2;1H4/t15-;14-;3*11-;;/m10000../s1.
What are the key properties of (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane?
(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane has a molecular weight of 1872.85 g/mol, XLogP of 11.37, 21 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;(2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol;(5R)-5-(chloromethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one;3-fluoro-4-morpholin-4-ylaniline;(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;methane is sourced from PubChem (CID 159402639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).