2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide

C15H12N2O2 — CID 66620652

IUPAC2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
SMILESCc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1
InChIInChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)15-17-13-11(14(16)18)3-2-4-12(13)19-15/h2-8H,1H3,(H2,16,18)
InChIKeyKVUZPTJZHBJSPP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.90
Rot. Bonds2

About 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide

2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide (PubChem CID 66620652) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
PubChem CID66620652
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
SMILESCc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1
InChIInChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)15-17-13-11(14(16)18)3-2-4-12(13)19-15/h2-8H,1H3,(H2,16,18)
InChIKeyKVUZPTJZHBJSPP-UHFFFAOYSA-N
XLogP2.90
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[4-(4-carboxy-1,3-benzoxazol-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 162354685
2-(2-bromo-5-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345820
2-(3-iodophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345889
2-(diethylaminomethyl)-1,3-benzoxazole-4-carboxamide
CID 143625797
2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 10869520
2-(3,6-dimethylpyridazin-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 104673209
2-(3-chloro-4-iodophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 103213614
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
1-(2-methyl-1,3-benzoxazol-4-yl)ethanone
CID 59626054
2-(3-bromo-2-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345978
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-4-carboxylic acid
CID 81345740
2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 135957253

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide (CID 66620652) is 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide is Cc1ccc(-c2nc3c(C(N)=O)cccc3o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide?
The InChIKey is KVUZPTJZHBJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)15-17-13-11(14(16)18)3-2-4-12(13)19-15/h2-8H,1H3,(H2,16,18).
What are the key properties of 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide?
2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 66620652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).