5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole

C13H13F2NO — CID 134922223

IUPAC5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
SMILESCc1cc(C)c(C2=NOC(=C(F)F)C2)c(C)c1
InChIInChI=1S/C13H13F2NO/c1-7-4-8(2)12(9(3)5-7)10-6-11(13(14)15)17-16-10/h4-5H,6H2,1-3H3
InChIKeyPASJVUCJQBUSCQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.84
Rot. Bonds1

About 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole

5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole (PubChem CID 134922223) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
PubChem CID134922223
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
SMILESCc1cc(C)c(C2=NOC(=C(F)F)C2)c(C)c1
InChIInChI=1S/C13H13F2NO/c1-7-4-8(2)12(9(3)5-7)10-6-11(13(14)15)17-16-10/h4-5H,6H2,1-3H3
InChIKeyPASJVUCJQBUSCQ-UHFFFAOYSA-N
XLogP3.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 154714052
3-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 10538310
4-(Difluoromethylidene)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 13582992
5-Methyl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 53921685
5-(difluoromethylidene)-3-phenyl-4H-1,2-oxazole
CID 85612159
(NZ)-N-[1-(3,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
CID 15264823
(NZ)-N-[2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethylidene]hydroxylamine
CID 18674522
(NZ)-N-[1-(2,4-dimethylphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
CID 18674532
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethanimine
CID 54370615
3,4,5-trimethyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 58126071
5-Methyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58463999
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-(cyclohexylmethoxy)propan-1-imine
CID 59021084

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole?
The IUPAC name of 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole (CID 134922223) is 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole is Cc1cc(C)c(C2=NOC(=C(F)F)C2)c(C)c1.
What is the InChIKey of 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole?
The InChIKey is PASJVUCJQBUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-7-4-8(2)12(9(3)5-7)10-6-11(13(14)15)17-16-10/h4-5H,6H2,1-3H3.
What are the key properties of 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole?
5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole has a molecular weight of 237.25 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole is sourced from PubChem (CID 134922223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).