5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

C18H16N2O2 — CID 110406819

IUPAC5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCC(NC(=O)c1cnoc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13(14-8-4-2-5-9-14)20-18(21)16-12-19-22-17(16)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,21)
InChIKeyKHSNWKDXRCAART-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.83
Rot. Bonds4

About 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide

5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 110406819) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID110406819
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESCC(NC(=O)c1cnoc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-13(14-8-4-2-5-9-14)20-18(21)16-12-19-22-17(16)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,21)
InChIKeyKHSNWKDXRCAART-UHFFFAOYSA-N
XLogP3.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 131929435
N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[(1S)-1-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 850733
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
N-[(1R)-1-phenylethyl]-2-propan-2-ylsulfanylbenzamide
CID 9172998
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide (CID 110406819) is 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is CC(NC(=O)c1cnoc1-c1ccccc1)c1ccccc1.
What is the InChIKey of 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is KHSNWKDXRCAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13(14-8-4-2-5-9-14)20-18(21)16-12-19-22-17(16)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,21).
What are the key properties of 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide?
5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110406819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).