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

C13H9F2NO3 — CID 134284360

IUPAC5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2c(F)cccc2F)noc1C1CC1
InChIInChI=1S/C13H9F2NO3/c14-7-2-1-3-8(15)9(7)11-10(13(17)18)12(19-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,17,18)
InChIKeyBZAQLDDWWFDGKB-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.20
Rot. Bonds3

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

5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 134284360) has the molecular formula C13H9F2NO3 and a molecular weight of 265.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID134284360
Molecular FormulaC13H9F2NO3
Molecular Weight265.21 g/mol
Exact Mass265.06
IUPAC Name5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2c(F)cccc2F)noc1C1CC1
InChIInChI=1S/C13H9F2NO3/c14-7-2-1-3-8(15)9(7)11-10(13(17)18)12(19-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,17,18)
InChIKeyBZAQLDDWWFDGKB-UHFFFAOYSA-N
XLogP3.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole
CID 134400414
4-(bromomethyl)-5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole
CID 155223675
5-cyclopropyl-3-thiophen-3-yl-1,2-oxazole-4-carboxylic acid
CID 91811880
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
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
[5-cyclopropyl-3-(2-cyclopropyl-6-fluorophenyl)-1,2-oxazol-4-yl]methanol;ethyl 3-(2-bromo-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;ethyl 5-cyclopropyl-3-(2-cyclopropyl-6-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 162054652
3-[2-chloro-6-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 134284467
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
2-[2-[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
CID 138591730
2-[(6R)-3-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-6-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrimidine-5-carboxylic acid
CID 130282269
[(1S,5R)-8-(6-methoxycarbonyl-4-methyl-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl] 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylate
CID 153437853
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3-cyclopropylpyrazol-1-yl)methanone
CID 3821344

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid (CID 134284360) is 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2c(F)cccc2F)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is BZAQLDDWWFDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-7-2-1-3-8(15)9(7)11-10(13(17)18)12(19-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,17,18).
What are the key properties of 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid?
5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 265.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 134284360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).