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

C18H23N3O3 — CID 3160364

IUPACN-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1
InChIInChI=1S/C18H23N3O3/c1-23-15-10-5-4-9-14(15)18-20-17(24-21-18)12-6-11-16(22)19-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,19,22)
InChIKeyFVBOZEDIRMUDDD-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.13
Rot. Bonds7

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

N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 3160364) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID3160364
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCOc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1
InChIInChI=1S/C18H23N3O3/c1-23-15-10-5-4-9-14(15)18-20-17(24-21-18)12-6-11-16(22)19-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,19,22)
InChIKeyFVBOZEDIRMUDDD-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 3160364) is N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is COc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is FVBOZEDIRMUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-15-10-5-4-9-14(15)18-20-17(24-21-18)12-6-11-16(22)19-13-7-2-3-8-13/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 3160364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).