4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide

C21H29N3O2 — CID 59913448

IUPAC4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
SMILESCCCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1
InChIInChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)
InChIKeyMXHSFPJPOSZOQI-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.64
Rot. Bonds7

About 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide

4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide (PubChem CID 59913448) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
PubChem CID59913448
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
SMILESCCCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1
InChIInChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)
InChIKeyMXHSFPJPOSZOQI-UHFFFAOYSA-N
XLogP4.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(4,4,4-trifluorobutyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 21361558
4-(1-butyltetrazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
CID 22992904
N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 22992855
methyl 4-(3-butyl-1,2,4-oxadiazol-5-yl)benzoate
CID 59913410
N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
CID 21361573
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclopentyl)methyl]benzamide
CID 96569398
N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
CID 21361588
1-(4-acetylphenyl)heptane-1,3-dione;4-(5-butyl-1H-pyrazol-3-yl)benzoic acid;4-(5-butyl-1H-pyrazol-3-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide;1-[4-(5-butyl-1H-pyrazol-3-yl)phenyl]ethanone;(2,2-dimethylcyclopentyl)methanamine;methanol
CID 160545090
N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide
CID 21361552
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657

Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide (CID 59913448) is 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide is CCCCc1noc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1.
What is the InChIKey of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
The InChIKey is MXHSFPJPOSZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25).
What are the key properties of 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide?
4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 59913448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).