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

C17H16ClN3O3 — CID 3160289

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccco1
InChIInChI=1S/C17H16ClN3O3/c18-13-8-6-12(7-9-13)17-20-16(24-21-17)5-1-4-15(22)19-11-14-3-2-10-23-14/h2-3,6-10H,1,4-5,11H2,(H,19,22)
InChIKeyPWKQCKZTVLIBCQ-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.62
Rot. Bonds7

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide (PubChem CID 3160289) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
PubChem CID3160289
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccco1
InChIInChI=1S/C17H16ClN3O3/c18-13-8-6-12(7-9-13)17-20-16(24-21-17)5-1-4-15(22)19-11-14-3-2-10-23-14/h2-3,6-10H,1,4-5,11H2,(H,19,22)
InChIKeyPWKQCKZTVLIBCQ-UHFFFAOYSA-N
XLogP3.62
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide (CID 3160289) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccco1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
The InChIKey is PWKQCKZTVLIBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-13-8-6-12(7-9-13)17-20-16(24-21-17)5-1-4-15(22)19-11-14-3-2-10-23-14/h2-3,6-10H,1,4-5,11H2,(H,19,22).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide has a molecular weight of 345.79 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3160289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).