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

C11H8F2N2O4 — CID 171363837

IUPAC5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(OC(F)F)cn2)c1C(=O)O
InChIInChI=1S/C11H8F2N2O4/c1-5-8(10(16)17)9(19-15-5)7-3-2-6(4-14-7)18-11(12)13/h2-4,11H,1H3,(H,16,17)
InChIKeyKBTSDRCBNJJOQF-UHFFFAOYSA-N
MW270.19 g/mol
LogP2.34
Rot. Bonds4

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

5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 171363837) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID171363837
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(OC(F)F)cn2)c1C(=O)O
InChIInChI=1S/C11H8F2N2O4/c1-5-8(10(16)17)9(19-15-5)7-3-2-6(4-14-7)18-11(12)13/h2-4,11H,1H3,(H,16,17)
InChIKeyKBTSDRCBNJJOQF-UHFFFAOYSA-N
XLogP2.34
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175455308
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
CID 155286933
[(2S)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549356
1-[4-(difluoromethoxy)phenyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 163209351
5-(3,4-difluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82477044
5-(4-acetylphenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175142552
5-(4-ethoxy-3-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 82486561
2-[5-(difluoromethoxy)-2-pyridinyl]-5-methyl-1H-imidazole-4-carbaldehyde
CID 155311087
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507560
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
5-(difluoromethoxy)-2-pyridin-4-ylpyridine
CID 46316882
5-(4-bromocyclohexa-1,3-dien-1-yl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 123398675

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 171363837) is 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc(-c2ccc(OC(F)F)cn2)c1C(=O)O.
What is the InChIKey of 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is KBTSDRCBNJJOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c1-5-8(10(16)17)9(19-15-5)7-3-2-6(4-14-7)18-11(12)13/h2-4,11H,1H3,(H,16,17).
What are the key properties of 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 270.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethoxy)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 171363837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).