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

C22H18N2O2 — CID 9322566

IUPACN-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
SMILESCc1ccccc1-c1nc2ccc(NC(=O)Cc3ccccc3)cc2o1
InChIInChI=1S/C22H18N2O2/c1-15-7-5-6-10-18(15)22-24-19-12-11-17(14-20(19)26-22)23-21(25)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyJRFPZARVOQUJAI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.98
Rot. Bonds4

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

N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide (PubChem CID 9322566) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
PubChem CID9322566
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide
SMILESCc1ccccc1-c1nc2ccc(NC(=O)Cc3ccccc3)cc2o1
InChIInChI=1S/C22H18N2O2/c1-15-7-5-6-10-18(15)22-24-19-12-11-17(14-20(19)26-22)23-21(25)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyJRFPZARVOQUJAI-UHFFFAOYSA-N
XLogP4.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
3-iodo-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 17362639
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
3-methoxy-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9325948
2-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-1H-imidazole-5-carboxamide
CID 50966787
N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenylacetamide
CID 2993583
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013315
N-[[3-hydroxy-4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide
CID 2237841
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
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 86980707
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide (CID 9322566) is N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide is Cc1ccccc1-c1nc2ccc(NC(=O)Cc3ccccc3)cc2o1.
What is the InChIKey of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide?
The InChIKey is JRFPZARVOQUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-7-5-6-10-18(15)22-24-19-12-11-17(14-20(19)26-22)23-21(25)13-16-8-3-2-4-9-16/h2-12,14H,13H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide?
N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide has a molecular weight of 342.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]-2-phenylacetamide is sourced from PubChem (CID 9322566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).