N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide

C31H28N2O2 — CID 28866087

IUPACN-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
SMILESCC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1
InChIInChI=1S/C31H28N2O2/c1-3-21(2)25-16-19-28-27(20-25)33-31(35-28)24-14-17-26(18-15-24)32-30(34)29(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-21,29H,3H2,1-2H3,(H,32,34)/t21-/m1/s1
InChIKeyVIOBPSPWSCWIQH-OAQYLSRUSA-N
MW460.58 g/mol
LogP7.78
Rot. Bonds7

About N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide

N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 28866087) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
PubChem CID28866087
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC NameN-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
SMILESCC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1
InChIInChI=1S/C31H28N2O2/c1-3-21(2)25-16-19-28-27(20-25)33-31(35-28)24-14-17-26(18-15-24)32-30(34)29(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-21,29H,3H2,1-2H3,(H,32,34)/t21-/m1/s1
InChIKeyVIOBPSPWSCWIQH-OAQYLSRUSA-N
XLogP7.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide with MolForge

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Related Compounds

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892
(E)-N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 28842402
N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-phenoxyacetamide
CID 4632264
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 92847447
N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-chloro-4-methylbenzamide
CID 4633720
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 40862933
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 26019347
N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 28873728
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]hexanamide
CID 4631032
2-(1-adamantyl)-N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3610006

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide (CID 28866087) is N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide is CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1.
What is the InChIKey of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is VIOBPSPWSCWIQH-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H28N2O2/c1-3-21(2)25-16-19-28-27(20-25)33-31(35-28)24-14-17-26(18-15-24)32-30(34)29(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-21,29H,3H2,1-2H3,(H,32,34)/t21-/m1/s1.
What are the key properties of N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 460.58 g/mol, XLogP of 7.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 28866087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).