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

C7H8F3NO — CID 139342279

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1ocnc1C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4(2)5-6(7(8,9)10)11-3-12-5/h3-4H,1-2H3
InChIKeyAPJMIZDNNNAEGA-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.82
Rot. Bonds1

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

5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 139342279) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID139342279
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1ocnc1C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4(2)5-6(7(8,9)10)11-3-12-5/h3-4H,1-2H3
InChIKeyAPJMIZDNNNAEGA-UHFFFAOYSA-N
XLogP2.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-(2-chloroethyl)-4-methyl-
CID 120387
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
Oxazole, 4-ethyl-5-methyl
CID 529031
5-Ethyl-1,3-oxazole-4-carbonitrile
CID 170910241
Oxazole, 5-acetoxime-4-methyl-
CID 74051013
4-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 71683235
Oxazole, 5-(2-chloroethyl)-4-(trifluoromethyl)-
CID 20557837
4-Propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 57698712
2,5-Di(propan-2-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 58428484
2-Methyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235773

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (CID 139342279) is 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is CC(C)c1ocnc1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is APJMIZDNNNAEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4(2)5-6(7(8,9)10)11-3-12-5/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 139342279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).