3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

C14H17FN2O — CID 63214178

IUPAC3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2CC(C)C)ccc1F
InChIInChI=1S/C14H17FN2O/c1-8(2)6-11-13(17-18-14(11)16)10-4-5-12(15)9(3)7-10/h4-5,7-8H,6,16H2,1-3H3
InChIKeyDKXLCKDVAKHXRG-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.57
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine

3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (PubChem CID 63214178) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
PubChem CID63214178
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2CC(C)C)ccc1F
InChIInChI=1S/C14H17FN2O/c1-8(2)6-11-13(17-18-14(11)16)10-4-5-12(15)9(3)7-10/h4-5,7-8H,6,16H2,1-3H3
InChIKeyDKXLCKDVAKHXRG-UHFFFAOYSA-N
XLogP3.57
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine (CID 63214178) is 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2CC(C)C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
The InChIKey is DKXLCKDVAKHXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-8(2)6-11-13(17-18-14(11)16)10-4-5-12(15)9(3)7-10/h4-5,7-8H,6,16H2,1-3H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine?
3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine has a molecular weight of 248.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63214178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).