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

C6H7F3N2O — CID 163295789

IUPAC[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1nc(CN)c(C(F)(F)F)o1
InChIInChI=1S/C6H7F3N2O/c1-3-11-4(2-10)5(12-3)6(7,8)9/h2,10H2,1H3
InChIKeyBGEMVGZBAHJIEL-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.46
Rot. Bonds1

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

[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 163295789) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
PubChem CID163295789
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
SMILESCc1nc(CN)c(C(F)(F)F)o1
InChIInChI=1S/C6H7F3N2O/c1-3-11-4(2-10)5(12-3)6(7,8)9/h2,10H2,1H3
InChIKeyBGEMVGZBAHJIEL-UHFFFAOYSA-N
XLogP1.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.46
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
N'-hydroxy-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboximidamide
CID 9566296
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
[5-(Trifluoromethyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 137919901
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
(Dimethyl-1,3-oxazol-2-yl)methanamine dihydrochloride
CID 137838497
2-Methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726918
(2,4-Dimethyloxazol-5-yl)methanamine
CID 22343507

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine (CID 163295789) is [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine is Cc1nc(CN)c(C(F)(F)F)o1.
What is the InChIKey of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is BGEMVGZBAHJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-11-4(2-10)5(12-3)6(7,8)9/h2,10H2,1H3.
What are the key properties of [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine?
[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 180.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 163295789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).