5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C20H26N6O2 — CID 100764314

IUPAC5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCCCn1ccc(CN2CCC(OC)(c3nc(-c4cnccn4)no3)CC2)c1
InChIInChI=1S/C20H26N6O2/c1-3-9-25-10-4-16(14-25)15-26-11-5-20(27-2,6-12-26)19-23-18(24-28-19)17-13-21-7-8-22-17/h4,7-8,10,13-14H,3,5-6,9,11-12,15H2,1-2H3
InChIKeyYDQGJFOGAWUJJV-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.88
Rot. Bonds7

About 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 100764314) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID100764314
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESCCCn1ccc(CN2CCC(OC)(c3nc(-c4cnccn4)no3)CC2)c1
InChIInChI=1S/C20H26N6O2/c1-3-9-25-10-4-16(14-25)15-26-11-5-20(27-2,6-12-26)19-23-18(24-28-19)17-13-21-7-8-22-17/h4,7-8,10,13-14H,3,5-6,9,11-12,15H2,1-2H3
InChIKeyYDQGJFOGAWUJJV-UHFFFAOYSA-N
XLogP2.88
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 100764314) is 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is CCCn1ccc(CN2CCC(OC)(c3nc(-c4cnccn4)no3)CC2)c1.
What is the InChIKey of 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is YDQGJFOGAWUJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-3-9-25-10-4-16(14-25)15-26-11-5-20(27-2,6-12-26)19-23-18(24-28-19)17-13-21-7-8-22-17/h4,7-8,10,13-14H,3,5-6,9,11-12,15H2,1-2H3.
What are the key properties of 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 382.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-1-[(1-propylpyrrol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 100764314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).