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

C12H13FN2O — CID 155280919

IUPAC(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(-c2cccc(F)c2)co1
InChIInChI=1S/C12H13FN2O/c1-2-10(14)12-15-11(7-16-12)8-4-3-5-9(13)6-8/h3-7,10H,2,14H2,1H3/t10-/m0/s1
InChIKeyUREZMLLRANUHRS-JTQLQIEISA-N
MW220.25 g/mol
LogP2.89
Rot. Bonds3

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

(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 155280919) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID155280919
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCC[C@H](N)c1nc(-c2cccc(F)c2)co1
InChIInChI=1S/C12H13FN2O/c1-2-10(14)12-15-11(7-16-12)8-4-3-5-9(13)6-8/h3-7,10H,2,14H2,1H3/t10-/m0/s1
InChIKeyUREZMLLRANUHRS-JTQLQIEISA-N
XLogP2.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
3-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 115031927
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 115084321
(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93093235
2-amino-2-[4-(3-fluorophenyl)pyrimidin-2-yl]ethanol
CID 116902199
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465
4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821031
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633731
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine (CID 155280919) is (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is CC[C@H](N)c1nc(-c2cccc(F)c2)co1.
What is the InChIKey of (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is UREZMLLRANUHRS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-10(14)12-15-11(7-16-12)8-4-3-5-9(13)6-8/h3-7,10H,2,14H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine?
(1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 220.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 155280919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).