4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine

C13H13FN2O — CID 117336149

IUPAC4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H13FN2O/c14-12-6-9-4-2-1-3-8(9)5-10(12)11-7-16-17-13(11)15/h5-7H,1-4,15H2
InChIKeyOBAOUNYSZIIWEP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.94
Rot. Bonds1

About 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine

4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine (PubChem CID 117336149) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
PubChem CID117336149
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H13FN2O/c14-12-6-9-4-2-1-3-8(9)5-10(12)11-7-16-17-13(11)15/h5-7H,1-4,15H2
InChIKeyOBAOUNYSZIIWEP-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-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

6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378364
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
5-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-amine
CID 117334288
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
CID 117310740
4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
4-(2,5-dichloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 117369363
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
1-(5-amino-1,2-oxazol-4-yl)-3-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117493917
4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117393713

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine (CID 117336149) is 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc2c(cc1F)CCCC2.
What is the InChIKey of 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is OBAOUNYSZIIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-6-9-4-2-1-3-8(9)5-10(12)11-7-16-17-13(11)15/h5-7H,1-4,15H2.
What are the key properties of 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine?
4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 232.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117336149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).