3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine

C12H12ClFN2O — CID 65178598

IUPAC3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C12H12ClFN2O/c13-8-3-4-9(10(14)6-8)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyHPIFJSSKJQJPCS-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.03
Rot. Bonds4

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

3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178598) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178598
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc(Cl)cc2F)o1
InChIInChI=1S/C12H12ClFN2O/c13-8-3-4-9(10(14)6-8)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyHPIFJSSKJQJPCS-UHFFFAOYSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-5-(4-chloro-2-fluorophenyl)-1,3-oxazole
CID 65179480
3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 107994673
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 102885542
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183656
3-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82818945
2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187402

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178598) is 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(-c2ccc(Cl)cc2F)o1.
What is the InChIKey of 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is HPIFJSSKJQJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-8-3-4-9(10(14)6-8)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2.
What are the key properties of 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 254.69 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).