N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride

C14H21ClN6O2 — CID 120834554

IUPACN-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
SMILESCC(=O)NC(C)(C)c1noc(-c2cc(C3CCNC3)[nH]n2)n1.Cl
InChIInChI=1S/C14H20N6O2.ClH/c1-8(21)17-14(2,3)13-16-12(22-20-13)11-6-10(18-19-11)9-4-5-15-7-9;/h6,9,15H,4-5,7H2,1-3H3,(H,17,21)(H,18,19);1H
InChIKeyMXMWIORSVALWTQ-UHFFFAOYSA-N
MW340.82 g/mol
LogP1.33
Rot. Bonds4

About N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride

N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride (PubChem CID 120834554) has the molecular formula C14H21ClN6O2 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
PubChem CID120834554
Molecular FormulaC14H21ClN6O2
Molecular Weight340.82 g/mol
Exact Mass340.14
IUPAC NameN-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
SMILESCC(=O)NC(C)(C)c1noc(-c2cc(C3CCNC3)[nH]n2)n1.Cl
InChIInChI=1S/C14H20N6O2.ClH/c1-8(21)17-14(2,3)13-16-12(22-20-13)11-6-10(18-19-11)9-4-5-15-7-9;/h6,9,15H,4-5,7H2,1-3H3,(H,17,21)(H,18,19);1H
InChIKeyMXMWIORSVALWTQ-UHFFFAOYSA-N
XLogP1.33
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 120837596
5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120835622
3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835553
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835674
3-chloro-N-[2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]benzamide;hydrochloride
CID 120834963
3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120834346
N-[2-[5-(6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 154769079
3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838978
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-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834493
N-[2-[5-[(1R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 124881503
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 166224779

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride (CID 120834554) is N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride is CC(=O)NC(C)(C)c1noc(-c2cc(C3CCNC3)[nH]n2)n1.Cl.
What is the InChIKey of N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
The InChIKey is MXMWIORSVALWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2.ClH/c1-8(21)17-14(2,3)13-16-12(22-20-13)11-6-10(18-19-11)9-4-5-15-7-9;/h6,9,15H,4-5,7H2,1-3H3,(H,17,21)(H,18,19);1H.
What are the key properties of N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride?
N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride has a molecular weight of 340.82 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 120834554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).