3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

C16H18ClN5O2 — CID 120835553

IUPAC3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccccc1-c1noc(-c2cc(C3CCNC3)[nH]n2)n1.Cl
InChIInChI=1S/C16H17N5O2.ClH/c1-22-14-5-3-2-4-11(14)15-18-16(23-21-15)13-8-12(19-20-13)10-6-7-17-9-10;/h2-5,8,10,17H,6-7,9H2,1H3,(H,19,20);1H
InChIKeyNBFWZTDFHCGZIA-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120835553) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120835553
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOc1ccccc1-c1noc(-c2cc(C3CCNC3)[nH]n2)n1.Cl
InChIInChI=1S/C16H17N5O2.ClH/c1-22-14-5-3-2-4-11(14)15-18-16(23-21-15)13-8-12(19-20-13)10-6-7-17-9-10;/h2-5,8,10,17H,6-7,9H2,1H3,(H,19,20);1H
InChIKeyNBFWZTDFHCGZIA-UHFFFAOYSA-N
XLogP2.63
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835674
5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120835622
3-tert-butyl-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 120837596
3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838978
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42585033
3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120834346
2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
CID 115045278
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119817239
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120839400
N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834554
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
5-(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 99130248

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120835553) is 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is COc1ccccc1-c1noc(-c2cc(C3CCNC3)[nH]n2)n1.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is NBFWZTDFHCGZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2.ClH/c1-22-14-5-3-2-4-11(14)15-18-16(23-21-15)13-8-12(19-20-13)10-6-7-17-9-10;/h2-5,8,10,17H,6-7,9H2,1H3,(H,19,20);1H.
What are the key properties of 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120835553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).