5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine

C7H9F3N2O — CID 105447786

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-3(2)4-5(7(8,9)10)12-6(11)13-4/h3H,1-2H3,(H2,11,12)
InChIKeyKWTRDPDGXCSMMU-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.40
Rot. Bonds1

About 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine

5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine (PubChem CID 105447786) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine
PubChem CID105447786
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-3(2)4-5(7(8,9)10)12-6(11)13-4/h3H,1-2H3,(H2,11,12)
InChIKeyKWTRDPDGXCSMMU-UHFFFAOYSA-N
XLogP2.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethyl)-1,3-oxazole-2,5-diamine
CID 69333844
2-methyl-4-(trifluoromethyl)-1,3-oxazol-5-amine
CID 130054794
4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 105498422
5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-2-amine
CID 116831978
2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 59459038
4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832014
4-fluoro-2-iodo-5-propan-2-yl-1,3-oxazole
CID 163706383
2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazol-7-amine
CID 82232029
3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 55231081
4-propan-2-yl-5-(trifluoromethyl)-2H-triazole
CID 69384515
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol
CID 143136897

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine (CID 105447786) is 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine is CC(C)c1oc(N)nc1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine?
The InChIKey is KWTRDPDGXCSMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-3(2)4-5(7(8,9)10)12-6(11)13-4/h3H,1-2H3,(H2,11,12).
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine?
5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine has a molecular weight of 194.16 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 105447786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).