[2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine

C8H11F3N2O — CID 130791915

IUPAC[2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
SMILESCC(C)c1nc(C(F)(F)F)c(CN)o1
InChIInChI=1S/C8H11F3N2O/c1-4(2)7-13-6(8(9,10)11)5(3-12)14-7/h4H,3,12H2,1-2H3
InChIKeyQZZQAUVHVNVVJR-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.28
Rot. Bonds2

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

[2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine (PubChem CID 130791915) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
PubChem CID130791915
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name[2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine
SMILESCC(C)c1nc(C(F)(F)F)c(CN)o1
InChIInChI=1S/C8H11F3N2O/c1-4(2)7-13-6(8(9,10)11)5(3-12)14-7/h4H,3,12H2,1-2H3
InChIKeyQZZQAUVHVNVVJR-UHFFFAOYSA-N
XLogP2.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
CID 138035626
2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 164639100
(2,4-Dimethyloxazol-5-yl)methanamine
CID 22343507
[4-Methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-5-yl]methanamine
CID 57571504
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 68235767
5-Methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235770
2-Ethyl-4-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 91349681
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284

Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine (CID 130791915) is [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine is CC(C)c1nc(C(F)(F)F)c(CN)o1.
What is the InChIKey of [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is QZZQAUVHVNVVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-4(2)7-13-6(8(9,10)11)5(3-12)14-7/h4H,3,12H2,1-2H3.
What are the key properties of [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine?
[2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 208.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 130791915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).