2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid

C12H9F2NO4 — CID 62233000

IUPAC2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccccc2OC(F)F)nc1C(=O)O
InChIInChI=1S/C12H9F2NO4/c1-6-9(11(16)17)15-10(18-6)7-4-2-3-5-8(7)19-12(13)14/h2-5,12H,1H3,(H,16,17)
InChIKeyBYICRUUWMKNYJH-UHFFFAOYSA-N
MW269.20 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid

2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 62233000) has the molecular formula C12H9F2NO4 and a molecular weight of 269.20 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID62233000
Molecular FormulaC12H9F2NO4
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccccc2OC(F)F)nc1C(=O)O
InChIInChI=1S/C12H9F2NO4/c1-6-9(11(16)17)15-10(18-6)7-4-2-3-5-8(7)19-12(13)14/h2-5,12H,1H3,(H,16,17)
InChIKeyBYICRUUWMKNYJH-UHFFFAOYSA-N
XLogP2.95
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175455308
2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
CID 18073533
2-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 98020627
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
2-hydroxyethyl 2-(2-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 147326313
5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70870821
2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65309309
4-[2-(difluoromethoxy)phenyl]pyrimidine-5-carboxylic acid
CID 175455350
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 82482484
3-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61264924
1-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 29016179
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid (CID 62233000) is 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2ccccc2OC(F)F)nc1C(=O)O.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is BYICRUUWMKNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO4/c1-6-9(11(16)17)15-10(18-6)7-4-2-3-5-8(7)19-12(13)14/h2-5,12H,1H3,(H,16,17).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid?
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 269.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62233000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).