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

C18H23N3O3 — CID 3160336

IUPAC4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1ccc(-c2noc(CCCC(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-7-9-14(10-8-13)18-20-17(24-21-18)6-2-5-16(22)19-12-15-4-3-11-23-15/h7-10,15H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyPYHVAXDXVLOFOZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.66
Rot. Bonds7

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

4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3160336) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3160336
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1ccc(-c2noc(CCCC(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-13-7-9-14(10-8-13)18-20-17(24-21-18)6-2-5-16(22)19-12-15-4-3-11-23-15/h7-10,15H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyPYHVAXDXVLOFOZ-UHFFFAOYSA-N
XLogP2.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide (CID 3160336) is 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide is Cc1ccc(-c2noc(CCCC(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is PYHVAXDXVLOFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-7-9-14(10-8-13)18-20-17(24-21-18)6-2-5-16(22)19-12-15-4-3-11-23-15/h7-10,15H,2-6,11-12H2,1H3,(H,19,22).
What are the key properties of 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide?
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3160336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).