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

C18H16N2O2 — CID 100771698

IUPAC3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1conc1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-18(19-12-11-14-7-3-1-4-8-14)16-13-22-20-17(16)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,21)
InChIKeyMXVRNIIHBRPAPZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.31
Rot. Bonds5

About 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide

3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 100771698) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
PubChem CID100771698
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1conc1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-18(19-12-11-14-7-3-1-4-8-14)16-13-22-20-17(16)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,21)
InChIKeyMXVRNIIHBRPAPZ-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772034
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
4-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 140824522
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide (CID 100771698) is 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is O=C(NCCc1ccccc1)c1conc1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MXVRNIIHBRPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(19-12-11-14-7-3-1-4-8-14)16-13-22-20-17(16)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,21).
What are the key properties of 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide?
3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100771698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).