N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

C22H17N3O2 — CID 5017979

IUPACN-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(c1ccno1)N(Cc1ccccn1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H17N3O2/c26-22(21-12-14-24-27-21)25(16-19-10-4-5-13-23-19)20-11-6-9-18(15-20)17-7-2-1-3-8-17/h1-15H,16H2
InChIKeyIBZGFYZYJPYRIX-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.58
Rot. Bonds5

About N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide

N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 5017979) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID5017979
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(c1ccno1)N(Cc1ccccn1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H17N3O2/c26-22(21-12-14-24-27-21)25(16-19-10-4-5-13-23-19)20-11-6-9-18(15-20)17-7-2-1-3-8-17/h1-15H,16H2
InChIKeyIBZGFYZYJPYRIX-UHFFFAOYSA-N
XLogP4.58
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 41180061
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 41180076
3-amino-N-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 39372159
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986876
N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
CID 42789521
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
1-[4-(3-aminophenyl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(pyridin-2-ylmethyl)urea
CID 89129602
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 5017979) is N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(c1ccno1)N(Cc1ccccn1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is IBZGFYZYJPYRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(21-12-14-24-27-21)25(16-19-10-4-5-13-23-19)20-11-6-9-18(15-20)17-7-2-1-3-8-17/h1-15H,16H2.
What are the key properties of N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide?
N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5017979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).