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

C20H23ClN4O4 — CID 171707629

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1CC1CCNC1.Cl
InChIInChI=1S/C20H22N4O4.ClH/c1-26-16-5-4-14(10-15(16)9-13-6-7-21-11-13)19(25)22-12-18-23-20(28-24-18)17-3-2-8-27-17;/h2-5,8,10,13,21H,6-7,9,11-12H2,1H3,(H,22,25);1H
InChIKeyOCJKQZGVQVJIMD-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.84
Rot. Bonds7

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

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171707629) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171707629
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1CC1CCNC1.Cl
InChIInChI=1S/C20H22N4O4.ClH/c1-26-16-5-4-14(10-15(16)9-13-6-7-21-11-13)19(25)22-12-18-23-20(28-24-18)17-3-2-8-27-17;/h2-5,8,10,13,21H,6-7,9,11-12H2,1H3,(H,22,25);1H
InChIKeyOCJKQZGVQVJIMD-UHFFFAOYSA-N
XLogP2.84
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171708530
4-methoxy-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171687182
4-methoxy-N-(1-propylpyrazol-4-yl)-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171706977
3-cyano-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755586
N-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712061
(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50975999
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064496
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171707629) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is COc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1CC1CCNC1.Cl.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is OCJKQZGVQVJIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4.ClH/c1-26-16-5-4-14(10-15(16)9-13-6-7-21-11-13)19(25)22-12-18-23-20(28-24-18)17-3-2-8-27-17;/h2-5,8,10,13,21H,6-7,9,11-12H2,1H3,(H,22,25);1H.
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 418.88 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171707629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).