4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

C12H12ClN3O2 — CID 2033173

IUPAC4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESNC(=O)CCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C12H12ClN3O2/c13-9-5-2-1-4-8(9)12-15-11(18-16-12)7-3-6-10(14)17/h1-2,4-5H,3,6-7H2,(H2,14,17)
InChIKeyUGVTUYUPCUBTJS-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.20
Rot. Bonds5

About 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 2033173) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID2033173
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESNC(=O)CCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C12H12ClN3O2/c13-9-5-2-1-4-8(9)12-15-11(18-16-12)7-3-6-10(14)17/h1-2,4-5H,3,6-7H2,(H2,14,17)
InChIKeyUGVTUYUPCUBTJS-UHFFFAOYSA-N
XLogP2.20
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 2033173) is 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is NC(=O)CCCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is UGVTUYUPCUBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-9-5-2-1-4-8(9)12-15-11(18-16-12)7-3-6-10(14)17/h1-2,4-5H,3,6-7H2,(H2,14,17).
What are the key properties of 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 265.70 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 2033173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).