(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C18H16ClFN2O4 — CID 162520720

IUPAC(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(Cl)ccc1[C@H](NC(=O)[C@@H]1CNC(=O)O1)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O4/c1-25-14-8-11(19)4-7-13(14)16(10-2-5-12(20)6-3-10)22-17(23)15-9-21-18(24)26-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyOUAVFEDOXNXZAX-JKSUJKDBSA-N
MW378.79 g/mol
LogP2.80
Rot. Bonds5

About (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520720) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520720
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1cc(Cl)ccc1[C@H](NC(=O)[C@@H]1CNC(=O)O1)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN2O4/c1-25-14-8-11(19)4-7-13(14)16(10-2-5-12(20)6-3-10)22-17(23)15-9-21-18(24)26-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyOUAVFEDOXNXZAX-JKSUJKDBSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520720) is (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is COc1cc(Cl)ccc1[C@H](NC(=O)[C@@H]1CNC(=O)O1)c1ccc(F)cc1.
What is the InChIKey of (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is OUAVFEDOXNXZAX-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-25-14-8-11(19)4-7-13(14)16(10-2-5-12(20)6-3-10)22-17(23)15-9-21-18(24)26-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1.
What are the key properties of (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 378.79 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).