1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine

C14H15F3N2O — CID 115084121

IUPAC1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N2O/c1-9(18)6-12-8-20-13(19-12)7-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyUKNKRSNPGCCMOT-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine

1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115084121) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115084121
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N2O/c1-9(18)6-12-8-20-13(19-12)7-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyUKNKRSNPGCCMOT-UHFFFAOYSA-N
XLogP3.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115084078
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 163697697
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084104
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62115615
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3801520
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083960

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine (CID 115084121) is 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine is CC(N)Cc1coc(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is UKNKRSNPGCCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(18)6-12-8-20-13(19-12)7-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine?
1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115084121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).