5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid

C9H4ClFN2O3 — CID 112619602

IUPAC5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C9H4ClFN2O3/c10-5-3-4(1-2-6(5)11)7-12-13-8(16-7)9(14)15/h1-3H,(H,14,15)
InChIKeyWDIKEDHIPAFKNP-UHFFFAOYSA-N
MW242.59 g/mol
LogP2.23
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619602) has the molecular formula C9H4ClFN2O3 and a molecular weight of 242.59 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619602
Molecular FormulaC9H4ClFN2O3
Molecular Weight242.59 g/mol
Exact Mass241.99
IUPAC Name5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C9H4ClFN2O3/c10-5-3-4(1-2-6(5)11)7-12-13-8(16-7)9(14)15/h1-3H,(H,14,15)
InChIKeyWDIKEDHIPAFKNP-UHFFFAOYSA-N
XLogP2.23
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.59
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 69195393
N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392712
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
4-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 126755771
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 123489752
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 137099581
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619602) is 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is WDIKEDHIPAFKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFN2O3/c10-5-3-4(1-2-6(5)11)7-12-13-8(16-7)9(14)15/h1-3H,(H,14,15).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 242.59 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).