3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine

C16H13N3O — CID 80521059

IUPAC3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(C2Cc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C16H13N3O/c17-16-14(13-7-3-4-8-18-13)15(19-20-16)12-9-10-5-1-2-6-11(10)12/h1-8,12H,9,17H2
InChIKeyNFEKZAAGJZAJTN-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.01
Rot. Bonds2

About 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 80521059) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID80521059
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(C2Cc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C16H13N3O/c17-16-14(13-7-3-4-8-18-13)15(19-20-16)12-9-10-5-1-2-6-11(10)12/h1-8,12H,9,17H2
InChIKeyNFEKZAAGJZAJTN-UHFFFAOYSA-N
XLogP3.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-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

3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine
CID 66395933
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 66396128
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
5-[(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 47053432
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,2-oxazol-3-amine
CID 66394653
4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 80521077
3-(furan-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521431
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2,4-dimethylpyrazol-3-amine
CID 66396321
5-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 64981823
3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521081
3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521630

Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 80521059) is 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is Nc1onc(C2Cc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is NFEKZAAGJZAJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16-14(13-7-3-4-8-18-13)15(19-20-16)12-9-10-5-1-2-6-11(10)12/h1-8,12H,9,17H2.
What are the key properties of 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine has a molecular weight of 263.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80521059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).