N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide

C24H22N2O2 — CID 54858483

IUPACN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
SMILESCc1cc(C)c2oc(Cc3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1
InChIInChI=1S/C24H22N2O2/c1-16-12-17(2)24-21(13-16)26-23(28-24)15-19-8-10-20(11-9-19)25-22(27)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyAICHQYAZKSHWCJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.22
Rot. Bonds5

About N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide

N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide (PubChem CID 54858483) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
PubChem CID54858483
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide
SMILESCc1cc(C)c2oc(Cc3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1
InChIInChI=1S/C24H22N2O2/c1-16-12-17(2)24-21(13-16)26-23(28-24)15-19-8-10-20(11-9-19)25-22(27)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyAICHQYAZKSHWCJ-UHFFFAOYSA-N
XLogP5.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]pentanamide
CID 54857862
2-(4-bromophenoxy)-N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858688
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]pentanamide
CID 54859496
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-methylbenzamide
CID 54859479
N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 54859309
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
CID 54858052
4-chloro-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]benzamide
CID 54859406
2-(4-chlorophenyl)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858538
2-(2-bromo-4,6-dimethylphenoxy)-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859402
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
2-(2,4-dichloro-6-methylphenoxy)-N-[[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]acetamide
CID 54859403
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide (CID 54858483) is N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide is Cc1cc(C)c2oc(Cc3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1.
What is the InChIKey of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide?
The InChIKey is AICHQYAZKSHWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-12-17(2)24-21(13-16)26-23(28-24)15-19-8-10-20(11-9-19)25-22(27)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide?
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide has a molecular weight of 370.45 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 54858483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).