5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C16H18N6O — CID 95570862

IUPAC5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCn1cc([C@H]2CCCN2Cc2nc(-c3cccnc3)no2)cn1
InChIInChI=1S/C16H18N6O/c1-21-10-13(9-18-21)14-5-3-7-22(14)11-15-19-16(20-23-15)12-4-2-6-17-8-12/h2,4,6,8-10,14H,3,5,7,11H2,1H3/t14-/m1/s1
InChIKeySAKOZRFOYWORCV-CQSZACIVSA-N
MW310.36 g/mol
LogP2.20
Rot. Bonds4

About 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 95570862) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID95570862
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCn1cc([C@H]2CCCN2Cc2nc(-c3cccnc3)no2)cn1
InChIInChI=1S/C16H18N6O/c1-21-10-13(9-18-21)14-5-3-7-22(14)11-15-19-16(20-23-15)12-4-2-6-17-8-12/h2,4,6,8-10,14H,3,5,7,11H2,1H3/t14-/m1/s1
InChIKeySAKOZRFOYWORCV-CQSZACIVSA-N
XLogP2.20
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 95570862) is 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cn1cc([C@H]2CCCN2Cc2nc(-c3cccnc3)no2)cn1.
What is the InChIKey of 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is SAKOZRFOYWORCV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-10-13(9-18-21)14-5-3-7-22(14)11-15-19-16(20-23-15)12-4-2-6-17-8-12/h2,4,6,8-10,14H,3,5,7,11H2,1H3/t14-/m1/s1.
What are the key properties of 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95570862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).