1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine

C12H12F2N2O — CID 106224117

IUPAC1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H12F2N2O/c1-2-10(15)12-6-11(16-17-12)7-3-8(13)5-9(14)4-7/h3-6,10H,2,15H2,1H3
InChIKeyUXBYYHRVALYUFK-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.03
Rot. Bonds3

About 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine

1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106224117) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106224117
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H12F2N2O/c1-2-10(15)12-6-11(16-17-12)7-3-8(13)5-9(14)4-7/h3-6,10H,2,15H2,1H3
InChIKeyUXBYYHRVALYUFK-UHFFFAOYSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 114160439
1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223965
1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224128
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223951
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
1-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106223997
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420287
1-[3-(5-bromo-2-fluorophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160485
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
1-[3-(4-methyl-3-pyridinyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223961
1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine (CID 106224117) is 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2cc(F)cc(F)c2)no1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is UXBYYHRVALYUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-10(15)12-6-11(16-17-12)7-3-8(13)5-9(14)4-7/h3-6,10H,2,15H2,1H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 238.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106224117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).