1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol

C8H8F3NO2 — CID 162534551

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
SMILESCc1nc(C=C(O)C(F)(F)F)oc1C
InChIInChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3,13H,1-2H3
InChIKeyUQDZTCKASNUQGX-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.75
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol (PubChem CID 162534551) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
PubChem CID162534551
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
SMILESCc1nc(C=C(O)C(F)(F)F)oc1C
InChIInChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3,13H,1-2H3
InChIKeyUQDZTCKASNUQGX-UHFFFAOYSA-N
XLogP2.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-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

(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol
CID 136731978
cobalt(2+);bis((Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate)
CID 139171442
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 68235767
5-Methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 68235770
2-Ethyl-4-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 91349681
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole;ethane
CID 142085256
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000826
2,4-Dimethyl-5-(trifluoromethyl)-1,3-oxazole;ethane
CID 144000891
2-Ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 163982387
(E)-2-methyl-4-[5-methyl-4-(trifluoromethyl)-1,3-oxazol-2-yl]but-3-en-2-ol
CID 169163187
4-(Difluoromethyl)-2-(2-fluoropropan-2-yl)-5-methyl-1,3-oxazole
CID 170193146
4-(Difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole
CID 170382676

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol (CID 162534551) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol is Cc1nc(C=C(O)C(F)(F)F)oc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol?
The InChIKey is UQDZTCKASNUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3,13H,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol has a molecular weight of 207.15 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-ol is sourced from PubChem (CID 162534551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).