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

C31H28N2O2 — CID 27235892

IUPACN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
SMILESCC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1
InChIInChI=1S/C31H28N2O2/c1-3-21(2)24-17-18-28-27(20-24)33-31(35-28)25-15-10-16-26(19-25)32-30(34)29(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-21,29H,3H2,1-2H3,(H,32,34)/t21-/m1/s1
InChIKeySJNMUTAHAZAPQK-OAQYLSRUSA-N
MW460.58 g/mol
LogP7.78
Rot. Bonds7

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

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 27235892) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
PubChem CID27235892
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC NameN-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
SMILESCC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1
InChIInChI=1S/C31H28N2O2/c1-3-21(2)24-17-18-28-27(20-24)33-31(35-28)25-15-10-16-26(19-25)32-30(34)29(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-21,29H,3H2,1-2H3,(H,32,34)/t21-/m1/s1
InChIKeySJNMUTAHAZAPQK-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-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide with MolForge

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Related Compounds

N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide
CID 40615868
N-[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5065867
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide
CID 40613949
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
CID 7596290
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethylbenzamide
CID 40615869
N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-phenylacetamide
CID 27236054
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2-nitrobenzamide
CID 2192684
N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-3-methylbutanamide
CID 40598606
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]pentanamide
CID 40598288

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide (CID 27235892) is N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide is CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1.
What is the InChIKey of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is SJNMUTAHAZAPQK-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H28N2O2/c1-3-21(2)24-17-18-28-27(20-24)33-31(35-28)25-15-10-16-26(19-25)32-30(34)29(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-21,29H,3H2,1-2H3,(H,32,34)/t21-/m1/s1.
What are the key properties of N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide?
N-[3-[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-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 27235892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).