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

C18H23N3O2 — CID 2983721

IUPACN-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)NC3CCCC3)n2)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-4-7-14(12-13)18-20-17(23-21-18)11-5-10-16(22)19-15-8-2-3-9-15/h4,6-7,12,15H,2-3,5,8-11H2,1H3,(H,19,22)
InChIKeyTZNLTUALUGAINW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.43
Rot. Bonds6

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

N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 2983721) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID2983721
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1cccc(-c2noc(CCCC(=O)NC3CCCC3)n2)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-4-7-14(12-13)18-20-17(23-21-18)11-5-10-16(22)19-15-8-2-3-9-15/h4,6-7,12,15H,2-3,5,8-11H2,1H3,(H,19,22)
InChIKeyTZNLTUALUGAINW-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-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 2983721) is N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1cccc(-c2noc(CCCC(=O)NC3CCCC3)n2)c1.
What is the InChIKey of N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is TZNLTUALUGAINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-4-7-14(12-13)18-20-17(23-21-18)11-5-10-16(22)19-15-8-2-3-9-15/h4,6-7,12,15H,2-3,5,8-11H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-cyclopentyl-4-[3-(3-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-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 2983721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).