3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C12H12F3NO3 — CID 155744106

IUPAC3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCOCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C12H12F3NO3/c1-18-7-8-2-4-9(5-3-8)10-6-11(17,19-16-10)12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKeyYYUQEQBGNORXPV-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.21
Rot. Bonds3

About 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155744106) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155744106
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCOCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1
InChIInChI=1S/C12H12F3NO3/c1-18-7-8-2-4-9(5-3-8)10-6-11(17,19-16-10)12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKeyYYUQEQBGNORXPV-UHFFFAOYSA-N
XLogP2.21
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-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

3-Phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 71680803
3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 10538310
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
CID 9880523
2-[4-[(Z)-C-butyl-N-methoxycarbonimidoyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10108964
1,1,1,3,3,3-hexafluoro-2-[4-[(E)-N-methoxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
CID 10132190
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
CID 10133784
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-methoxy-C-phenylcarbonimidoyl]phenyl]propan-2-ol
CID 10134172
2-[4-[(Z)-N-ethoxy-C-propylcarbonimidoyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10291832
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-(2-methylpropoxy)-C-propylcarbonimidoyl]phenyl]propan-2-ol
CID 10293450
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-phenylmethoxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
CID 10295554
(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine
CID 18507820
(5-(4-(Trifluoromethyl)phenyl)-4,5-dihydroisoxazol-3-yl)methanol
CID 22184760

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155744106) is 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is COCc1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1.
What is the InChIKey of 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is YYUQEQBGNORXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-18-7-8-2-4-9(5-3-8)10-6-11(17,19-16-10)12(13,14)15/h2-5,17H,6-7H2,1H3.
What are the key properties of 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 275.23 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155744106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).