N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

C18H16N2O2 — CID 1246614

IUPACN-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)no1
InChIInChI=1S/C18H16N2O2/c1-13-11-17(20-22-13)18(21)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyKNDVOAMVMMCGKC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.83
Rot. Bonds4

About N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 1246614) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID1246614
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)no1
InChIInChI=1S/C18H16N2O2/c1-13-11-17(20-22-13)18(21)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChIKeyKNDVOAMVMMCGKC-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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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 1246614) is N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)no1.
What is the InChIKey of N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KNDVOAMVMMCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-11-17(20-22-13)18(21)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-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 N-(2-benzylphenyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1246614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).