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

C7H3ClN2O3S — CID 112619407

IUPAC5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C7H3ClN2O3S/c8-4-2-1-3(14-4)5-9-10-6(13-5)7(11)12/h1-2H,(H,11,12)
InChIKeyQGXABVNSKBRJEQ-UHFFFAOYSA-N
MW230.63 g/mol
LogP2.15
Rot. Bonds2

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

5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 112619407) has the molecular formula C7H3ClN2O3S and a molecular weight of 230.63 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID112619407
Molecular FormulaC7H3ClN2O3S
Molecular Weight230.63 g/mol
Exact Mass229.96
IUPAC Name5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C7H3ClN2O3S/c8-4-2-1-3(14-4)5-9-10-6(13-5)7(11)12/h1-2H,(H,11,12)
InChIKeyQGXABVNSKBRJEQ-UHFFFAOYSA-N
XLogP2.15
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
CID 71695554
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 4085017
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62277864
(E)-3-(2-chlorophenyl)-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 6012658
ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
CID 142287345
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2057813
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
5-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619460

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid (CID 112619407) is 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is QGXABVNSKBRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O3S/c8-4-2-1-3(14-4)5-9-10-6(13-5)7(11)12/h1-2H,(H,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 230.63 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 112619407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).