5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole

C16H17N5O — CID 167967118

IUPAC5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(-c2ccc(-c3ccn[nH]3)cc2)no1
InChIInChI=1S/C16H17N5O/c1-10-13(6-8-17-10)16-19-15(21-22-16)12-4-2-11(3-5-12)14-7-9-18-20-14/h2-5,7,9-10,13,17H,6,8H2,1H3,(H,18,20)
InChIKeyBKQBRLSFICMFAE-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.59
Rot. Bonds3

About 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole

5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 167967118) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
PubChem CID167967118
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole
SMILESCC1NCCC1c1nc(-c2ccc(-c3ccn[nH]3)cc2)no1
InChIInChI=1S/C16H17N5O/c1-10-13(6-8-17-10)16-19-15(21-22-16)12-4-2-11(3-5-12)14-7-9-18-20-14/h2-5,7,9-10,13,17H,6,8H2,1H3,(H,18,20)
InChIKeyBKQBRLSFICMFAE-UHFFFAOYSA-N
XLogP2.59
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole (CID 167967118) is 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is CC1NCCC1c1nc(-c2ccc(-c3ccn[nH]3)cc2)no1.
What is the InChIKey of 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BKQBRLSFICMFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-13(6-8-17-10)16-19-15(21-22-16)12-4-2-11(3-5-12)14-7-9-18-20-14/h2-5,7,9-10,13,17H,6,8H2,1H3,(H,18,20).
What are the key properties of 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole?
5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 295.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-3-yl)-3-[4-(1H-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167967118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).