3-(1,2-benzoxazol-6-yl)-4-methylbenzamide

C15H12N2O2 — CID 170994365

IUPAC3-(1,2-benzoxazol-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2cnoc2c1
InChIInChI=1S/C15H12N2O2/c1-9-2-3-11(15(16)18)6-13(9)10-4-5-12-8-17-19-14(12)7-10/h2-8H,1H3,(H2,16,18)
InChIKeyLEQGPZAZFOFLCH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.90
Rot. Bonds2

About 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide

3-(1,2-benzoxazol-6-yl)-4-methylbenzamide (PubChem CID 170994365) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(1,2-benzoxazol-6-yl)-4-methylbenzamide
PubChem CID170994365
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(1,2-benzoxazol-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1-c1ccc2cnoc2c1
InChIInChI=1S/C15H12N2O2/c1-9-2-3-11(15(16)18)6-13(9)10-4-5-12-8-17-19-14(12)7-10/h2-8H,1H3,(H2,16,18)
InChIKeyLEQGPZAZFOFLCH-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

1,2-Benzisoxazole
CID 71073
3-(3-aminobenzo[d]isoxazol-6-yl)-N-cyclopropyl-4-methylbenzamide
CID 10063814
4-(3-Methylphenyl)-1,2-benzoxazol-3-amine
CID 49830766
3-(3-Amino-1,2-benzoxazol-4-yl)phenol
CID 49831015
1-[2-(1,2-Benzoxazol-3-yl)phenyl]but-3-en-1-amineahydrogen chloride
CID 9861159
1-[2-(1,2-Benzoxazol-3-yl)phenyl]but-3-en-1-amine
CID 9861160
Org-34167
CID 9795264
4-Methyl-1,2-benzoxazol-3-amine
CID 21061737
4-Prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
CID 155528105
(1-(1,2-Benzoxazol-5-yl)propan-2-yl)(methyl)amine hydrochloride
CID 155977769
3-Methyl-4-(trifluoromethyl)naphtho[2,1-d][1,2]oxazole
CID 171919141
3-(2,6-Dimethylphenyl)-1,2-benzoxazole
CID 13127038

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide?
The IUPAC name of 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide (CID 170994365) is 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide.
What is the SMILES notation for 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide?
The canonical SMILES for 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide is Cc1ccc(C(N)=O)cc1-c1ccc2cnoc2c1.
What is the InChIKey of 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide?
The InChIKey is LEQGPZAZFOFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-2-3-11(15(16)18)6-13(9)10-4-5-12-8-17-19-14(12)7-10/h2-8H,1H3,(H2,16,18).
What are the key properties of 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide?
3-(1,2-benzoxazol-6-yl)-4-methylbenzamide 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 3-(1,2-benzoxazol-6-yl)-4-methylbenzamide is sourced from PubChem (CID 170994365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).