4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole

C13H14F3NO — CID 143728803

IUPAC4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccc(F)c(F)c2F)CO1
InChIInChI=1S/C13H14F3NO/c1-3-4-10-17-13(2,7-18-10)8-5-6-9(14)12(16)11(8)15/h5-6H,3-4,7H2,1-2H3
InChIKeyLIBZXLIYNUIGNL-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.55
Rot. Bonds3

About 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole

4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole (PubChem CID 143728803) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole
PubChem CID143728803
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole
SMILESCCCC1=NC(C)(c2ccc(F)c(F)c2F)CO1
InChIInChI=1S/C13H14F3NO/c1-3-4-10-17-13(2,7-18-10)8-5-6-9(14)12(16)11(8)15/h5-6H,3-4,7H2,1-2H3
InChIKeyLIBZXLIYNUIGNL-UHFFFAOYSA-N
XLogP3.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole 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

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
4-methyl-4-(2,3,6-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323675
4-methyl-4-(2,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323677
4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323688
(4S)-4-(2,5-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323712
(4R)-4-(2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323732
(4S)-4-methyl-4-(3,4,5-trifluorophenyl)-5H-1,3-oxazol-2-amine
CID 59323769
(4S)-4-(2,4-difluorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 59323870
2-(2,6-difluorophenyl)-4-methyl-4-phenyl-5H-1,3-oxazole
CID 76308796
2-(o-Fluorophenyl)-2-methoxymethylindole
CID 129797841
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole?
The IUPAC name of 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole (CID 143728803) is 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole?
The canonical SMILES for 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole is CCCC1=NC(C)(c2ccc(F)c(F)c2F)CO1.
What is the InChIKey of 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole?
The InChIKey is LIBZXLIYNUIGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-3-4-10-17-13(2,7-18-10)8-5-6-9(14)12(16)11(8)15/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole?
4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole has a molecular weight of 257.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-4-(2,3,4-trifluorophenyl)-5H-1,3-oxazole is sourced from PubChem (CID 143728803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).