3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C20H19ClN2O3 — CID 168849336

IUPAC3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2cccc(Cl)c2)[C@@H]2C[C@H]2c2ccccc2)C(=O)O1
InChIInChI=1S/C20H19ClN2O3/c21-14-8-4-7-13(9-14)18(23-11-17(19(22)24)26-20(23)25)16-10-15(16)12-5-2-1-3-6-12/h1-9,15-18H,10-11H2,(H2,22,24)/t15-,16+,17?,18+/m0/s1
InChIKeySPVQWJKAXRMGQU-QXMSTZRJSA-N
MW370.84 g/mol
LogP3.49
Rot. Bonds5

About 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 168849336) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID168849336
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2cccc(Cl)c2)[C@@H]2C[C@H]2c2ccccc2)C(=O)O1
InChIInChI=1S/C20H19ClN2O3/c21-14-8-4-7-13(9-14)18(23-11-17(19(22)24)26-20(23)25)16-10-15(16)12-5-2-1-3-6-12/h1-9,15-18H,10-11H2,(H2,22,24)/t15-,16+,17?,18+/m0/s1
InChIKeySPVQWJKAXRMGQU-QXMSTZRJSA-N
XLogP3.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

3-[2-adamantyl(phenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849421
(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 174115427
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11099554
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
(5S)-3-[(1R)-1-phenylethyl]-5-(pyrene-2-carbonyl)-1,3-oxazolidin-2-one
CID 11122628
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849346
3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849449
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 168849336) is 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN([C@H](c2cccc(Cl)c2)[C@@H]2C[C@H]2c2ccccc2)C(=O)O1.
What is the InChIKey of 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is SPVQWJKAXRMGQU-QXMSTZRJSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-14-8-4-7-13(9-14)18(23-11-17(19(22)24)26-20(23)25)16-10-15(16)12-5-2-1-3-6-12/h1-9,15-18H,10-11H2,(H2,22,24)/t15-,16+,17?,18+/m0/s1.
What are the key properties of 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 168849336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).