(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide

C23H19Cl3N2O3 — CID 10672289

IUPAC(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl3N2O3/c24-16-7-9-18(10-8-16)30-14-19-13-28(23(29)27-17-4-2-1-3-5-17)22(31-19)15-6-11-20(25)21(26)12-15/h1-12,19,22H,13-14H2,(H,27,29)/t19-,22+/m0/s1
InChIKeyPIJPUWTXEZPMKW-SIKLNZKXSA-N
MW477.78 g/mol
LogP6.66
Rot. Bonds5

About (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide

(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide (PubChem CID 10672289) has the molecular formula C23H19Cl3N2O3 and a molecular weight of 477.78 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide
PubChem CID10672289
Molecular FormulaC23H19Cl3N2O3
Molecular Weight477.78 g/mol
Exact Mass476.05
IUPAC Name(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl3N2O3/c24-16-7-9-18(10-8-16)30-14-19-13-28(23(29)27-17-4-2-1-3-5-17)22(31-19)15-6-11-20(25)21(26)12-15/h1-12,19,22H,13-14H2,(H,27,29)/t19-,22+/m0/s1
InChIKeyPIJPUWTXEZPMKW-SIKLNZKXSA-N
XLogP6.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(4-chlorophenyl)-1,3-oxazolidin-3-yl]ethanone
CID 10737599
1-(3,4-dichlorophenyl)-N-phenyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 42741062
(2S)-2-N-[2-(4-chlorophenoxy)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 28946991
[(4S,6R)-6-(2,4-dichlorophenyl)-4-(phenoxymethyl)-1,5,2-dioxazinan-2-yl]-phenylmethanone
CID 6553201
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
N-(4-chlorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 5070807
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
2-(4-chlorophenoxy)ethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836469
[(5R)-2-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 142676361
[(5R)-2-(3,4-dichlorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone;methanesulfonic acid
CID 86756110
6-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889743
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide (CID 10672289) is (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide is O=C(Nc1ccccc1)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide?
The InChIKey is PIJPUWTXEZPMKW-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H19Cl3N2O3/c24-16-7-9-18(10-8-16)30-14-19-13-28(23(29)27-17-4-2-1-3-5-17)22(31-19)15-6-11-20(25)21(26)12-15/h1-12,19,22H,13-14H2,(H,27,29)/t19-,22+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide?
(2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide has a molecular weight of 477.78 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-chlorophenoxy)methyl]-2-(3,4-dichlorophenyl)-N-phenyl-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 10672289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).