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

C9H5ClN2O3 — CID 23358700

IUPAC5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C9H5ClN2O3/c10-6-4-2-1-3-5(6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14)
InChIKeyBVGOEMIHQPCJJF-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.09
Rot. Bonds2

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

5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 23358700) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID23358700
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C9H5ClN2O3/c10-6-4-2-1-3-5(6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14)
InChIKeyBVGOEMIHQPCJJF-UHFFFAOYSA-N
XLogP2.09
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110391253
5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
CID 110391269
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110391259
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619407
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 861511
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110391263
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 23358700) is 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is BVGOEMIHQPCJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-6-4-2-1-3-5(6)7-11-12-8(15-7)9(13)14/h1-4H,(H,13,14).
What are the key properties of 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 224.60 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 23358700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).