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

C18H16Cl2N2O4 — CID 175423820

IUPACN-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1[C@H](NC(=O)C1CNC(=O)O1)c1cccc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-14-6-5-12(20)8-13(14)16(10-3-2-4-11(19)7-10)22-17(23)15-9-21-18(24)26-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15?,16-/m1/s1
InChIKeyWZYOVLDZRWQGLP-OEMAIJDKSA-N
MW395.24 g/mol
LogP3.32
Rot. Bonds5

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

N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 175423820) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID175423820
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC NameN-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1[C@H](NC(=O)C1CNC(=O)O1)c1cccc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4/c1-25-14-6-5-12(20)8-13(14)16(10-3-2-4-11(19)7-10)22-17(23)15-9-21-18(24)26-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15?,16-/m1/s1
InChIKeyWZYOVLDZRWQGLP-OEMAIJDKSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 175423820) is N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is COc1ccc(Cl)cc1[C@H](NC(=O)C1CNC(=O)O1)c1cccc(Cl)c1.
What is the InChIKey of N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is WZYOVLDZRWQGLP-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-25-14-6-5-12(20)8-13(14)16(10-3-2-4-11(19)7-10)22-17(23)15-9-21-18(24)26-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15?,16-/m1/s1.
What are the key properties of N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 395.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 175423820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).