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

C18H15ClN2O2 — CID 133159027

IUPACN-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(NC(=O)c1conc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12(13-7-9-15(19)10-8-13)20-18(22)16-11-23-21-17(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)
InChIKeyYWSFLVTZBYPBNV-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.49
Rot. Bonds4

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

N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 133159027) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID133159027
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(NC(=O)c1conc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12(13-7-9-15(19)10-8-13)20-18(22)16-11-23-21-17(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22)
InChIKeyYWSFLVTZBYPBNV-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771614
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772034
3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-N-[(1R)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 124875243
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 133159027) is N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide is CC(NC(=O)c1conc1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YWSFLVTZBYPBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12(13-7-9-15(19)10-8-13)20-18(22)16-11-23-21-17(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 133159027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).