3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine

C8H13FN2O — CID 84766260

IUPAC3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1nc(CCCN)oc1CF
InChIInChI=1S/C8H13FN2O/c1-6-7(5-9)12-8(11-6)3-2-4-10/h2-5,10H2,1H3
InChIKeyFBYPGSSDGBGYII-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.34
Rot. Bonds4

About 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine

3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 84766260) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine
PubChem CID84766260
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine
SMILESCc1nc(CCCN)oc1CF
InChIInChI=1S/C8H13FN2O/c1-6-7(5-9)12-8(11-6)3-2-4-10/h2-5,10H2,1H3
InChIKeyFBYPGSSDGBGYII-UHFFFAOYSA-N
XLogP1.34
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-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-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine (CID 84766260) is 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine is Cc1nc(CCCN)oc1CF.
What is the InChIKey of 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is FBYPGSSDGBGYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6-7(5-9)12-8(11-6)3-2-4-10/h2-5,10H2,1H3.
What are the key properties of 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 172.20 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 84766260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).