N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide

C28H22N2O2 — CID 4244780

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)oc2c1
InChIInChI=1S/C28H22N2O2/c1-19-12-17-24-25(18-19)32-28(30-24)22-13-15-23(16-14-22)29-27(31)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18,26H,1H3,(H,29,31)
InChIKeyLUIXNULYVNBBID-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.57
Rot. Bonds5

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide (PubChem CID 4244780) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
PubChem CID4244780
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)oc2c1
InChIInChI=1S/C28H22N2O2/c1-19-12-17-24-25(18-19)32-28(30-24)22-13-15-23(16-14-22)29-27(31)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18,26H,1H3,(H,29,31)
InChIKeyLUIXNULYVNBBID-UHFFFAOYSA-N
XLogP6.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 28866087
2,3,4,5,6-pentafluoro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3363557
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1363581
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17018342

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide (CID 4244780) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide is Cc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)oc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide?
The InChIKey is LUIXNULYVNBBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-19-12-17-24-25(18-19)32-28(30-24)22-13-15-23(16-14-22)29-27(31)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18,26H,1H3,(H,29,31).
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide has a molecular weight of 418.50 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4244780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).