N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide

C13H9N3O2 — CID 155813831

IUPACN-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1noc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-13(15-11-7-3-4-8-14-11)12-9-5-1-2-6-10(9)18-16-12/h1-8H,(H,14,15,17)
InChIKeyBETHYGDDYXTKKV-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.48
Rot. Bonds2

About N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide

N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide (PubChem CID 155813831) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
PubChem CID155813831
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC NameN-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1noc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-13(15-11-7-3-4-8-14-11)12-9-5-1-2-6-10(9)18-16-12/h1-8H,(H,14,15,17)
InChIKeyBETHYGDDYXTKKV-UHFFFAOYSA-N
XLogP2.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
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N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
N-[1-[4-(3-amino-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11525664
N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
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3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416
3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971418
3-(2-methylcyclohexyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971427
3-[3-(5-{[(1S)-1-phenylethyl]amino}pyrido[4,3-d][1,2]oxazol-3-yl)piperidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide (CID 155813831) is N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccccn1)c1noc2ccccc12.
What is the InChIKey of N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide?
The InChIKey is BETHYGDDYXTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(15-11-7-3-4-8-14-11)12-9-5-1-2-6-10(9)18-16-12/h1-8H,(H,14,15,17).
What are the key properties of N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide?
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155813831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).