[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine

C12H13F3N2O — CID 115062079

IUPAC[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESNCC1=NC(Cc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-3-1-2-8(4-9)5-10-7-18-11(6-16)17-10/h1-4,10H,5-7,16H2
InChIKeyOBBGVHSDVLANGI-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.00
Rot. Bonds3

About [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine

[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115062079) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115062079
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESNCC1=NC(Cc2cccc(C(F)(F)F)c2)CO1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-3-1-2-8(4-9)5-10-7-18-11(6-16)17-10/h1-4,10H,5-7,16H2
InChIKeyOBBGVHSDVLANGI-UHFFFAOYSA-N
XLogP2.00
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]-4,5-dihydro-1,3-oxazole
CID 20853031
[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062097
(4R)-4-benzyl-2-[4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 154729680
ethyl 3-(aminomethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxylate
CID 163398294
2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dioxolane-4-carboxylic acid
CID 115094645
2-[4-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115062125
(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
CID 10878939
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
CID 117228982
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
CID 86203773

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115062079) is [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is NCC1=NC(Cc2cccc(C(F)(F)F)c2)CO1.
What is the InChIKey of [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is OBBGVHSDVLANGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-3-1-2-8(4-9)5-10-7-18-11(6-16)17-10/h1-4,10H,5-7,16H2.
What are the key properties of [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 258.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115062079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).