6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

C18H18N4O2 — CID 126834888

IUPAC6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2noc(C3CCCN3Cc3ccccc3)n2)[nH]1
InChIInChI=1S/C18H18N4O2/c23-16-10-4-8-14(19-16)17-20-18(24-21-17)15-9-5-11-22(15)12-13-6-2-1-3-7-13/h1-4,6-8,10,15H,5,9,11-12H2,(H,19,23)
InChIKeyBTPLTTPGEUBHDR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.76
Rot. Bonds4

About 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one

6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (PubChem CID 126834888) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
PubChem CID126834888
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2noc(C3CCCN3Cc3ccccc3)n2)[nH]1
InChIInChI=1S/C18H18N4O2/c23-16-10-4-8-14(19-16)17-20-18(24-21-17)15-9-5-11-22(15)12-13-6-2-1-3-7-13/h1-4,6-8,10,15H,5,9,11-12H2,(H,19,23)
InChIKeyBTPLTTPGEUBHDR-UHFFFAOYSA-N
XLogP2.76
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 122034240
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one (CID 126834888) is 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is O=c1cccc(-c2noc(C3CCCN3Cc3ccccc3)n2)[nH]1.
What is the InChIKey of 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
The InChIKey is BTPLTTPGEUBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-16-10-4-8-14(19-16)17-20-18(24-21-17)15-9-5-11-22(15)12-13-6-2-1-3-7-13/h1-4,6-8,10,15H,5,9,11-12H2,(H,19,23).
What are the key properties of 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one?
6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one has a molecular weight of 322.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 126834888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).