(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol

C12H16F3NO2 — CID 176763527

IUPAC(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
SMILESCC(C)c1oc(/C=C/C(C)(C)O)nc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-7(2)9-10(12(13,14)15)16-8(18-9)5-6-11(3,4)17/h5-7,17H,1-4H3/b6-5+
InChIKeyQXNRPUPZDBEGNA-AATRIKPKSA-N
MW263.26 g/mol
LogP3.60
Rot. Bonds3

About (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol

(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol (PubChem CID 176763527) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
PubChem CID176763527
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
SMILESCC(C)c1oc(/C=C/C(C)(C)O)nc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-7(2)9-10(12(13,14)15)16-8(18-9)5-6-11(3,4)17/h5-7,17H,1-4H3/b6-5+
InChIKeyQXNRPUPZDBEGNA-AATRIKPKSA-N
XLogP3.60
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 169163187
2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 176763539
(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol
CID 137098706
4,5-dimethyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole
CID 57753803
4,5-dimethyl-2-[(E)-5-methylhex-1-enyl]-1,3-oxazole
CID 57753806
4,5-Dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole
CID 90711742
4,5-Dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole
CID 91343129
4-Methyl-5-propan-2-yl-2-prop-1-en-2-yl-1,3-oxazole
CID 164112943
4-ethyl-5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazole
CID 173218397
4-Ethyl-5-methyl-2-(4-methylpent-1-enyl)-1,3-oxazole
CID 173218398

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol (CID 176763527) is (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol is CC(C)c1oc(/C=C/C(C)(C)O)nc1C(F)(F)F.
What is the InChIKey of (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
The InChIKey is QXNRPUPZDBEGNA-AATRIKPKSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-7(2)9-10(12(13,14)15)16-8(18-9)5-6-11(3,4)17/h5-7,17H,1-4H3/b6-5+.
What are the key properties of (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol has a molecular weight of 263.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol is sourced from PubChem (CID 176763527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).