2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole

C9H9ClN2OS — CID 43513413

IUPAC2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESClCCCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C9H9ClN2OS/c10-4-1-2-8-11-12-9(13-8)7-3-5-14-6-7/h3,5-6H,1-2,4H2
InChIKeyKSZUCQVIXWSBNW-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole

2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 43513413) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID43513413
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESClCCCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C9H9ClN2OS/c10-4-1-2-8-11-12-9(13-8)7-3-5-14-6-7/h3,5-6H,1-2,4H2
InChIKeyKSZUCQVIXWSBNW-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloropropyl)-5-(2-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 106752784
2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
CID 29132376
2-(3-chloropropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 43513385
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
5-[5-(3-chloropropyl)-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 43513406
2-(3-chloropropyl)-5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 63209997
2-(3-chloropropyl)-5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazole
CID 55230879
2-(3-chloropropyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 65199305
2-(3-chloropropyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 39356122
N-[2-(4-chlorophenyl)ethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162041

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole (CID 43513413) is 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole is ClCCCc1nnc(-c2ccsc2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is KSZUCQVIXWSBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c10-4-1-2-8-11-12-9(13-8)7-3-5-14-6-7/h3,5-6H,1-2,4H2.
What are the key properties of 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole?
2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 228.70 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 43513413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).