N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C17H21N3O3 — CID 111477761

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC(O)C3CCCC3)c2)no1
InChIInChI=1S/C17H21N3O3/c1-11-19-16(20-23-11)13-7-4-8-14(9-13)17(22)18-10-15(21)12-5-2-3-6-12/h4,7-9,12,15,21H,2-3,5-6,10H2,1H3,(H,18,22)
InChIKeyWSKQNXYPQWAMPI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.33
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 111477761) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID111477761
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCC(O)C3CCCC3)c2)no1
InChIInChI=1S/C17H21N3O3/c1-11-19-16(20-23-11)13-7-4-8-14(9-13)17(22)18-10-15(21)12-5-2-3-6-12/h4,7-9,12,15,21H,2-3,5-6,10H2,1H3,(H,18,22)
InChIKeyWSKQNXYPQWAMPI-UHFFFAOYSA-N
XLogP2.33
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[(1S)-1-[4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-3-hydroxypyrrolidine-2-carboxamide
CID 46911228
(2S,3S)-N-((S)-1-(4-(5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl)phenyl)propyl)-3-hydroxypyrrolidine-2-carboxamide
CID 49862648
(2S,3S)-N-[(1R)-1-[4-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl]-3-hydroxypyrrolidine-2-carboxamide
CID 118734327
N-(Tetrahydro-furan-2-ylmethyl)-4-(3-m-tolyl-[1,2,4]oxadiazol-5-yl)-butyramide
CID 3160324
N-(1-hydroxybutan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230669
N-(2-hydroxycyclohexyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230672
N-(1-hydroxy-4-methylpentan-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230678
N-(2-hydroxyethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230690
N-[(2S)-1-hydroxypropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230908
N-[(2R)-1-hydroxypropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230997
(2S)-2-(hydroxymethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 71917757
3-(3-hydroxy-3-methylbutyl)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 70708110

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 111477761) is N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCC(O)C3CCCC3)c2)no1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is WSKQNXYPQWAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-19-16(20-23-11)13-7-4-8-14(9-13)17(22)18-10-15(21)12-5-2-3-6-12/h4,7-9,12,15,21H,2-3,5-6,10H2,1H3,(H,18,22).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 111477761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).