(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide

C23H20N2O2 — CID 2203697

IUPAC(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-2-19(16-9-4-3-5-10-16)22(26)24-18-12-8-11-17(15-18)23-25-20-13-6-7-14-21(20)27-23/h3-15,19H,2H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyRPSUAWNAOYPUOR-LJQANCHMSA-N
MW356.43 g/mol
LogP5.63
Rot. Bonds5

About (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide

(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide (PubChem CID 2203697) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
PubChem CID2203697
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c1-2-19(16-9-4-3-5-10-16)22(26)24-18-12-8-11-17(15-18)23-25-20-13-6-7-14-21(20)27-23/h3-15,19H,2H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyRPSUAWNAOYPUOR-LJQANCHMSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892
2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 4906817
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
CID 7579240
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoic acid
CID 4911910
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280162
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280164
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 42280167
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17100843

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide (CID 2203697) is (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide?
The InChIKey is RPSUAWNAOYPUOR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-19(16-9-4-3-5-10-16)22(26)24-18-12-8-11-17(15-18)23-25-20-13-6-7-14-21(20)27-23/h3-15,19H,2H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide?
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide has a molecular weight of 356.43 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 2203697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).