5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide

C17H14N2O2 — CID 8880740

IUPAC5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C17H14N2O2/c1-12-11-16(19-21-12)17(20)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)
InChIKeyYBDRJSBLMHHMMB-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.90
Rot. Bonds3

About 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 8880740) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID8880740
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C17H14N2O2/c1-12-11-16(19-21-12)17(20)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)
InChIKeyYBDRJSBLMHHMMB-UHFFFAOYSA-N
XLogP3.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide (CID 8880740) is 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YBDRJSBLMHHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-11-16(19-21-12)17(20)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20).
What are the key properties of 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 8880740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).