N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

C19H13N3O2 — CID 778969

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1
InChIInChI=1S/C19H13N3O2/c23-18(14-4-3-11-20-12-14)21-15-9-7-13(8-10-15)19-22-16-5-1-2-6-17(16)24-19/h1-12H,(H,21,23)
InChIKeyXBPFNKJWZZVAMO-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.14
Rot. Bonds3

About N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 778969) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID778969
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1
InChIInChI=1S/C19H13N3O2/c23-18(14-4-3-11-20-12-14)21-15-9-7-13(8-10-15)19-22-16-5-1-2-6-17(16)24-19/h1-12H,(H,21,23)
InChIKeyXBPFNKJWZZVAMO-UHFFFAOYSA-N
XLogP4.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1114221
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16580992
4-(acetamidomethyl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]benzamide
CID 46691878

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (CID 778969) is N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is XBPFNKJWZZVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18(14-4-3-11-20-12-14)21-15-9-7-13(8-10-15)19-22-16-5-1-2-6-17(16)24-19/h1-12H,(H,21,23).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 778969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).