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

C22H23ClN2O3 — CID 174115427

IUPAC(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CNC(=O)O1)C(c1cccc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C22H23ClN2O3/c1-13(25-21(26)19-12-24-22(27)28-19)20(15-8-5-9-16(23)10-15)18-11-17(18)14-6-3-2-4-7-14/h2-10,13,17-20H,11-12H2,1H3,(H,24,27)(H,25,26)/t13-,17?,18?,19+,20?/m1/s1
InChIKeyJWMIBOCBWZWZTB-CZIOTQIZSA-N
MW398.89 g/mol
LogP3.84
Rot. Bonds6

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

(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 174115427) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID174115427
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CNC(=O)O1)C(c1cccc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C22H23ClN2O3/c1-13(25-21(26)19-12-24-22(27)28-19)20(15-8-5-9-16(23)10-15)18-11-17(18)14-6-3-2-4-7-14/h2-10,13,17-20H,11-12H2,1H3,(H,24,27)(H,25,26)/t13-,17?,18?,19+,20?/m1/s1
InChIKeyJWMIBOCBWZWZTB-CZIOTQIZSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichlorophenyl)-phenylmethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849441
N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423820
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899546
3-[(S)-(3-chlorophenyl)-[(1R,2R)-2-phenylcyclopropyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849336
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423866
(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520683
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
(3S,4R)-4-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 46214926
(5R,6S)-6-phenyl-5-propan-2-yl-1,3-oxazinan-2-one
CID 10536862
(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520725
(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520720

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 174115427) is (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide is C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)C(c1cccc(Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is JWMIBOCBWZWZTB-CZIOTQIZSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-13(25-21(26)19-12-24-22(27)28-19)20(15-8-5-9-16(23)10-15)18-11-17(18)14-6-3-2-4-7-14/h2-10,13,17-20H,11-12H2,1H3,(H,24,27)(H,25,26)/t13-,17?,18?,19+,20?/m1/s1.
What are the key properties of (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2R)-1-(3-chlorophenyl)-1-(2-phenylcyclopropyl)propan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 174115427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).