5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole

C13H11F2NO — CID 134400414

IUPAC5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole
SMILESCc1c(-c2c(F)cccc2F)noc1C1CC1
InChIInChI=1S/C13H11F2NO/c1-7-12(16-17-13(7)8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8H,5-6H2,1H3
InChIKeyDQGUQNKFDKHEHI-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.81
Rot. Bonds2

About 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole

5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole (PubChem CID 134400414) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole
PubChem CID134400414
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole
SMILESCc1c(-c2c(F)cccc2F)noc1C1CC1
InChIInChI=1S/C13H11F2NO/c1-7-12(16-17-13(7)8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8H,5-6H2,1H3
InChIKeyDQGUQNKFDKHEHI-UHFFFAOYSA-N
XLogP3.81
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
CID 155223675
5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 134284360
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
tert-butyl (1R,5S)-3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 174228769
5-cyclopropyl-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66199156
5-cyclopropyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]-4-[(3-methylphenoxy)methyl]-1,2-oxazole
CID 141180501
4-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorobenzoic acid
CID 67985241
4-(2-chloro-6-fluorophenyl)-5-cycloheptyl-1,2-oxazol-3-amine
CID 66199498
3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 20967059
4-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorobenzonitrile
CID 155223678
2-[5-cyclopropyl-3-(2,6-dimethylphenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol
CID 167172494
2-[3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-6-methylpyrimidine-4-carboxylic acid
CID 67985077

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole (CID 134400414) is 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole is Cc1c(-c2c(F)cccc2F)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole?
The InChIKey is DQGUQNKFDKHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-7-12(16-17-13(7)8-5-6-8)11-9(14)3-2-4-10(11)15/h2-4,8H,5-6H2,1H3.
What are the key properties of 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole?
5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole has a molecular weight of 235.23 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 134400414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).