(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone

C13H9N3O2 — CID 167437414

IUPAC(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone
SMILESNc1cc(C(=O)c2noc3ccccc23)ccn1
InChIInChI=1S/C13H9N3O2/c14-11-7-8(5-6-15-11)13(17)12-9-3-1-2-4-10(9)18-16-12/h1-7H,(H2,14,15)
InChIKeyXUYPSUVEFDUKAV-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.04
Rot. Bonds2

About (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone

(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone (PubChem CID 167437414) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone
PubChem CID167437414
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone
SMILESNc1cc(C(=O)c2noc3ccccc23)ccn1
InChIInChI=1S/C13H9N3O2/c14-11-7-8(5-6-15-11)13(17)12-9-3-1-2-4-10(9)18-16-12/h1-7H,(H2,14,15)
InChIKeyXUYPSUVEFDUKAV-UHFFFAOYSA-N
XLogP2.04
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1,2-benzoxazole-3-carboxamide
CID 10419698
1-(2-amino-4-pyridinyl)ethanone
CID 13145258
N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969995
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
CID 140532901
1-(1,2-benzoxazol-3-yl)-2-bromoethanone;1-(1,2-benzoxazol-3-yl)ethanone
CID 161245986
2-amino-N-(1-naphthalen-1-ylcyclopropyl)pyridine-4-carboxamide
CID 174193110
2-amino-N-[(1R)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 166321511
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944
2-amino-N-(4-naphthalen-1-yl-1,3,5-triazin-2-yl)pyridine-4-carboxamide
CID 56992782
(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone (CID 167437414) is (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone is Nc1cc(C(=O)c2noc3ccccc23)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone?
The InChIKey is XUYPSUVEFDUKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-11-7-8(5-6-15-11)13(17)12-9-3-1-2-4-10(9)18-16-12/h1-7H,(H2,14,15).
What are the key properties of (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone?
(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone has a molecular weight of 239.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 167437414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).