1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine

C12H12ClFN2O — CID 74232391

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESCN(Cc1ccc(Cl)c(F)c1)Cc1ccon1
InChIInChI=1S/C12H12ClFN2O/c1-16(8-10-4-5-17-15-10)7-9-2-3-11(13)12(14)6-9/h2-6H,7-8H2,1H3
InChIKeyQTCIYCQBDSJXLA-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine

1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 74232391) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID74232391
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESCN(Cc1ccc(Cl)c(F)c1)Cc1ccon1
InChIInChI=1S/C12H12ClFN2O/c1-16(8-10-4-5-17-15-10)7-9-2-3-11(13)12(14)6-9/h2-6H,7-8H2,1H3
InChIKeyQTCIYCQBDSJXLA-UHFFFAOYSA-N
XLogP3.10
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine 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 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 74232391) is 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine is CN(Cc1ccc(Cl)c(F)c1)Cc1ccon1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is QTCIYCQBDSJXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-16(8-10-4-5-17-15-10)7-9-2-3-11(13)12(14)6-9/h2-6H,7-8H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine?
1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 254.69 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 74232391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).