3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine

C13H15FN2O2 — CID 102885542

IUPAC3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(CCCN)o2)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-17-9-4-5-10(11(14)7-9)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyZNPZHORSRDILMZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.38
Rot. Bonds5

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

3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 102885542) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID102885542
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOc1ccc(-c2cnc(CCCN)o2)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-17-9-4-5-10(11(14)7-9)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyZNPZHORSRDILMZ-UHFFFAOYSA-N
XLogP2.38
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 102885541
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 102885582
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
3-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178598
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
3-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178926
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
[5-(4-methoxy-2-methylphenyl)-1,3-oxazol-2-yl]methanamine
CID 82360064
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486
2-(1-chloroethyl)-5-(2-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 102885537
3-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 107994673

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 102885542) is 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is COc1ccc(-c2cnc(CCCN)o2)c(F)c1.
What is the InChIKey of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is ZNPZHORSRDILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-17-9-4-5-10(11(14)7-9)12-8-16-13(18-12)3-2-6-15/h4-5,7-8H,2-3,6,15H2,1H3.
What are the key properties of 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 250.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 102885542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).