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

C18H23N3O2 — CID 3160349

IUPACN-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1ccc(-c2noc(CCCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-13-9-11-14(12-10-13)18-20-17(23-21-18)8-4-7-16(22)19-15-5-2-3-6-15/h9-12,15H,2-8H2,1H3,(H,19,22)
InChIKeyZSYONFKEMLNZNY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds6

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

N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 3160349) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID3160349
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1ccc(-c2noc(CCCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C18H23N3O2/c1-13-9-11-14(12-10-13)18-20-17(23-21-18)8-4-7-16(22)19-15-5-2-3-6-15/h9-12,15H,2-8H2,1H3,(H,19,22)
InChIKeyZSYONFKEMLNZNY-UHFFFAOYSA-N
XLogP3.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 3160349) is N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1ccc(-c2noc(CCCC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is ZSYONFKEMLNZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-9-11-14(12-10-13)18-20-17(23-21-18)8-4-7-16(22)19-15-5-2-3-6-15/h9-12,15H,2-8H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 3160349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).