2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole

C12H14F3NO — CID 176763539

IUPAC2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1oc(/C=C/C2CC2)nc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-7(2)10-11(12(13,14)15)16-9(17-10)6-5-8-3-4-8/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyZMGYRRZOYQXYNB-AATRIKPKSA-N
MW245.24 g/mol
LogP4.24
Rot. Bonds3

About 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole

2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 176763539) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID176763539
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1oc(/C=C/C2CC2)nc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-7(2)10-11(12(13,14)15)16-9(17-10)6-5-8-3-4-8/h5-8H,3-4H2,1-2H3/b6-5+
InChIKeyZMGYRRZOYQXYNB-AATRIKPKSA-N
XLogP4.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
4-Ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-5-methyl-1,3-oxazole
CID 142936356
4-Methyl-5-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 169163080
(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 169163187
4-(Difluoromethyl)-2-(1-methylcyclopropyl)-5-propan-2-yl-1,3-oxazole
CID 169163269
4-(Difluoromethyl)-2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163289
4-(Difluoromethyl)-2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3-oxazole
CID 169164988
2-Cyclopropyl-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 169166817
2-Cyclopropyl-4-(difluoromethyl)-5-propan-2-yl-1,3-oxazole
CID 169308427
(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 176763527

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (CID 176763539) is 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is CC(C)c1oc(/C=C/C2CC2)nc1C(F)(F)F.
What is the InChIKey of 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is ZMGYRRZOYQXYNB-AATRIKPKSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7(2)10-11(12(13,14)15)16-9(17-10)6-5-8-3-4-8/h5-8H,3-4H2,1-2H3/b6-5+.
What are the key properties of 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 245.24 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 176763539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).