3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide

C16H14N2O2 — CID 11989435

IUPAC3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2noc3ccc(C)cc23)c1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-12(8-10)16(19)17-15-13-9-11(2)6-7-14(13)20-18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyCNZJQEQKYUQFSJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.70
Rot. Bonds2

About 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide

3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide (PubChem CID 11989435) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
PubChem CID11989435
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2noc3ccc(C)cc23)c1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-12(8-10)16(19)17-15-13-9-11(2)6-7-14(13)20-18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyCNZJQEQKYUQFSJ-UHFFFAOYSA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
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3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide
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3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
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3-methyl-N-(6-methyl-2-pyridinyl)benzamide
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N-(3-acetamidophenyl)-3-methylbenzamide
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N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
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(5-methyl-1,2-benzoxazol-3-yl)methanol
CID 119083461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide (CID 11989435) is 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2noc3ccc(C)cc23)c1.
What is the InChIKey of 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide?
The InChIKey is CNZJQEQKYUQFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-3-5-12(8-10)16(19)17-15-13-9-11(2)6-7-14(13)20-18-15/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide?
3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 11989435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).