3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide

C22H18N2O3 — CID 9325948

IUPAC3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1
InChIInChI=1S/C22H18N2O3/c1-14-6-3-4-9-18(14)22-24-19-11-10-16(13-20(19)27-22)23-21(25)15-7-5-8-17(12-15)26-2/h3-13H,1-2H3,(H,23,25)
InChIKeyWJIKAQZKEBFMGR-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.06
Rot. Bonds4

About 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide

3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide (PubChem CID 9325948) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
PubChem CID9325948
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1
InChIInChI=1S/C22H18N2O3/c1-14-6-3-4-9-18(14)22-24-19-11-10-16(13-20(19)27-22)23-21(25)15-7-5-8-17(12-15)26-2/h3-13H,1-2H3,(H,23,25)
InChIKeyWJIKAQZKEBFMGR-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 17362639
N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methoxybenzamide
CID 1361662
2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide
CID 50966787
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
CID 9322566
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 3127993
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethoxybenzamide
CID 1015782
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 135812260
2-(4-methoxyphenoxy)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348668
2,3,4,5,6-pentafluoro-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4105266
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 23793460
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-phenylmethoxybenzamide
CID 6737667
N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089494

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide (CID 9325948) is 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide is COc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
The InChIKey is WJIKAQZKEBFMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-6-3-4-9-18(14)22-24-19-11-10-16(13-20(19)27-22)23-21(25)15-7-5-8-17(12-15)26-2/h3-13H,1-2H3,(H,23,25).
What are the key properties of 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide is sourced from PubChem (CID 9325948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).