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

C10H12F3NO2 — CID 169163187

IUPAC(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
SMILESCc1oc(/C=C/C(C)(C)O)nc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-6-8(10(11,12)13)14-7(16-6)4-5-9(2,3)15/h4-5,15H,1-3H3/b5-4+
InChIKeyAZOIUDWJUZJPNT-SNAWJCMRSA-N
MW235.20 g/mol
LogP2.79
Rot. Bonds2

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

(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol (PubChem CID 169163187) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
PubChem CID169163187
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
SMILESCc1oc(/C=C/C(C)(C)O)nc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-6-8(10(11,12)13)14-7(16-6)4-5-9(2,3)15/h4-5,15H,1-3H3/b5-4+
InChIKeyAZOIUDWJUZJPNT-SNAWJCMRSA-N
XLogP2.79
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 136731978
5-(bromomethyl)-4-methyl-2-[(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-yl]-1,3-oxazole
CID 143640541
1-(4,5-Dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 162534551
5-ethenyl-2-propan-2-yl-4-[(1Z,3E)-5,5,5-trifluoropenta-1,3-dienyl]-1,3-oxazole
CID 167089457
(2E,4E)-4-[5-methyl-4-[(1E)-2-(trifluoromethyl)penta-1,3-dienyl]-1,3-oxazol-2-yl]hepta-2,4,6-trien-3-ol
CID 173472453
2-(3-Hydroxy-3-methylbut-1-enyl)-4-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 176371268
(E)-2-methyl-4-[5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 176763527
2-[(E)-2-cyclopropylethenyl]-5-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 176763539
4,5-dimethyl-2-[(E)-prop-1-enyl]-1,3-oxazole
CID 15176124
(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate
CID 102524597
(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol
CID 137098706
4,5-bis(ethenyl)-2-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]-1,3-oxazole
CID 142810880

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol (CID 169163187) is (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol is Cc1oc(/C=C/C(C)(C)O)nc1C(F)(F)F.
What is the InChIKey of (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
The InChIKey is AZOIUDWJUZJPNT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-6-8(10(11,12)13)14-7(16-6)4-5-9(2,3)15/h4-5,15H,1-3H3/b5-4+.
What are the key properties of (E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol?
(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol has a molecular weight of 235.20 g/mol, XLogP of 2.79, 2 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-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol is sourced from PubChem (CID 169163187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).