4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C17H23ClN4O3 — CID 126777122

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NCC3CCCN3)cc2)no1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-2-16-20-15(21-24-16)11-23-14-7-5-12(6-8-14)17(22)19-10-13-4-3-9-18-13;/h5-8,13,18H,2-4,9-11H2,1H3,(H,19,22);1H
InChIKeyYHYIOQUFIOMGED-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.11
Rot. Bonds7

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 126777122) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID126777122
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NCC3CCCN3)cc2)no1.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-2-16-20-15(21-24-16)11-23-14-7-5-12(6-8-14)17(22)19-10-13-4-3-9-18-13;/h5-8,13,18H,2-4,9-11H2,1H3,(H,19,22);1H
InChIKeyYHYIOQUFIOMGED-UHFFFAOYSA-N
XLogP2.11
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556658
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119824236
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531034
N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836353

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 126777122) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CCc1nc(COc2ccc(C(=O)NCC3CCCN3)cc2)no1.Cl.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is YHYIOQUFIOMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-2-16-20-15(21-24-16)11-23-14-7-5-12(6-8-14)17(22)19-10-13-4-3-9-18-13;/h5-8,13,18H,2-4,9-11H2,1H3,(H,19,22);1H.
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 126777122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).