N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide

C21H17N3O2 — CID 134798841

IUPACN-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C21H17N3O2/c25-20(23-13-11-15-6-2-1-3-7-15)16-9-10-17-19(14-16)26-21(24-17)18-8-4-5-12-22-18/h1-10,12,14H,11,13H2,(H,23,25)
InChIKeyYBRDZIJIWUVTCK-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.86
Rot. Bonds5

About N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide

N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 134798841) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID134798841
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2nc(-c3ccccn3)oc2c1
InChIInChI=1S/C21H17N3O2/c25-20(23-13-11-15-6-2-1-3-7-15)16-9-10-17-19(14-16)26-21(24-17)18-8-4-5-12-22-18/h1-10,12,14H,11,13H2,(H,23,25)
InChIKeyYBRDZIJIWUVTCK-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(3-phenylpropyl)-2-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 134798057
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-1,3-benzoxazole-6-carboxamide
CID 134799037
2-benzyl-N-(2-thiophen-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089382
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
N-[3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl]-2-phenyl-1,3-benzoxazole-6-carboxamide
CID 100624637
4-bromo-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320517
N-cyclooctyl-2-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089402

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide (CID 134798841) is N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide is O=C(NCCc1ccccc1)c1ccc2nc(-c3ccccn3)oc2c1.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is YBRDZIJIWUVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(23-13-11-15-6-2-1-3-7-15)16-9-10-17-19(14-16)26-21(24-17)18-8-4-5-12-22-18/h1-10,12,14H,11,13H2,(H,23,25).
What are the key properties of N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide?
N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 134798841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).