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

C17H20ClN3O3 — CID 3160288

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC1CCCO1
InChIInChI=1S/C17H20ClN3O3/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/h6-9,14H,1-5,10-11H2,(H,19,22)
InChIKeyUAHHTJQMOODHKF-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.01
Rot. Bonds7

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3160288) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3160288
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC1CCCO1
InChIInChI=1S/C17H20ClN3O3/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/h6-9,14H,1-5,10-11H2,(H,19,22)
InChIKeyUAHHTJQMOODHKF-UHFFFAOYSA-N
XLogP3.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.01
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-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide (CID 3160288) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-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-(oxolan-2-ylmethyl)butanamide?
The InChIKey is UAHHTJQMOODHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/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/h6-9,14H,1-5,10-11H2,(H,19,22).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 349.82 g/mol, XLogP of 3.01, 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-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3160288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).