N-pyridin-2-yl-1,3-benzoxazol-2-amine

C12H9N3O — CID 2305838

IUPACN-pyridin-2-yl-1,3-benzoxazol-2-amine
SMILESc1ccc(Nc2nc3ccccc3o2)nc1
InChIInChI=1S/C12H9N3O/c1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11/h1-8H,(H,13,14,15)
InChIKeyYMRWEBLZMFGRTH-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.97
Rot. Bonds2

About N-pyridin-2-yl-1,3-benzoxazol-2-amine

N-pyridin-2-yl-1,3-benzoxazol-2-amine (PubChem CID 2305838) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is N-pyridin-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-1,3-benzoxazol-2-amine
PubChem CID2305838
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC NameN-pyridin-2-yl-1,3-benzoxazol-2-amine
SMILESc1ccc(Nc2nc3ccccc3o2)nc1
InChIInChI=1S/C12H9N3O/c1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11/h1-8H,(H,13,14,15)
InChIKeyYMRWEBLZMFGRTH-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pyridin-2-yl-1,3-benzoxazol-2-amine 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

Ontazolast
CID 71458
2-Aminobenzoxazole
CID 20707
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
CID 395772
VU0366058
CID 57328392
N-(4-Ethylphenyl)benzo[d]oxazol-2-amine
CID 39918957
N-(4,6-Dimethyl-2-pyrimidinyl)-2-benzoxazolamine
CID 854816
1-[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 1504182

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-pyridin-2-yl-1,3-benzoxazol-2-amine (CID 2305838) is N-pyridin-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-pyridin-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-pyridin-2-yl-1,3-benzoxazol-2-amine is c1ccc(Nc2nc3ccccc3o2)nc1.
What is the InChIKey of N-pyridin-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is YMRWEBLZMFGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-6-10-9(5-1)14-12(16-10)15-11-7-3-4-8-13-11/h1-8H,(H,13,14,15).
What are the key properties of N-pyridin-2-yl-1,3-benzoxazol-2-amine?
N-pyridin-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 211.22 g/mol, XLogP of 2.97, 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-1,3-benzoxazol-2-amine is sourced from PubChem (CID 2305838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).