5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid

C10H7F2NO3S — CID 25211001

IUPAC5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid
SMILESCc1c(C(F)F)noc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C10H7F2NO3S/c1-4-7(9(11)12)13-16-8(4)5-2-3-6(17-5)10(14)15/h2-3,9H,1H3,(H,14,15)
InChIKeyDZZXJRYEHXNLOV-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.35
Rot. Bonds3

About 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid

5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid (PubChem CID 25211001) has the molecular formula C10H7F2NO3S and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid
PubChem CID25211001
Molecular FormulaC10H7F2NO3S
Molecular Weight259.23 g/mol
Exact Mass259.01
IUPAC Name5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid
SMILESCc1c(C(F)F)noc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C10H7F2NO3S/c1-4-7(9(11)12)13-16-8(4)5-2-3-6(17-5)10(14)15/h2-3,9H,1H3,(H,14,15)
InChIKeyDZZXJRYEHXNLOV-UHFFFAOYSA-N
XLogP3.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid (CID 25211001) is 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid is Cc1c(C(F)F)noc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid?
The InChIKey is DZZXJRYEHXNLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3S/c1-4-7(9(11)12)13-16-8(4)5-2-3-6(17-5)10(14)15/h2-3,9H,1H3,(H,14,15).
What are the key properties of 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid?
5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid has a molecular weight of 259.23 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)-4-methyl-1,2-oxazol-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 25211001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).