N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H17ClN2O2 — CID 171470034

IUPACN-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-13(14-7-9-16(20)10-8-14)12-21-19(23)17-11-18(24-22-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyVHFUEZUBQPVUEM-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.53
Rot. Bonds5

About N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 171470034) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID171470034
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-13(14-7-9-16(20)10-8-14)12-21-19(23)17-11-18(24-22-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyVHFUEZUBQPVUEM-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843478
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 171470034) is N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is CC(CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is VHFUEZUBQPVUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13(14-7-9-16(20)10-8-14)12-21-19(23)17-11-18(24-22-17)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171470034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).