3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole

C22H24N4O — CID 56898718

IUPAC3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCC(c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)N1CCCC1
InChIInChI=1S/C22H24N4O/c1-15(26-11-2-3-12-26)17-5-4-6-18(13-17)20-10-9-19(14-23-20)22-24-21(25-27-22)16-7-8-16/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3
InChIKeyJKBIPLYZIKMACN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.83
Rot. Bonds5

About 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 56898718) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID56898718
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCC(c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)N1CCCC1
InChIInChI=1S/C22H24N4O/c1-15(26-11-2-3-12-26)17-5-4-6-18(13-17)20-10-9-19(14-23-20)22-24-21(25-27-22)16-7-8-16/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3
InChIKeyJKBIPLYZIKMACN-UHFFFAOYSA-N
XLogP4.83
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclopropyl-5-[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]-1,2,4-oxadiazole
CID 95723612
4-[[6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 95123778
5-(4-phenylphenyl)-3-(1-propan-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 59657771
N,N-dimethyl-3-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazin-2-amine
CID 95133357
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
5-[6-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyridinyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 95716077
3-cyclopropyl-5-[6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 25277718
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 65390325

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole (CID 56898718) is 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole is CC(c1cccc(-c2ccc(-c3nc(C4CC4)no3)cn2)c1)N1CCCC1.
What is the InChIKey of 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is JKBIPLYZIKMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(26-11-2-3-12-26)17-5-4-6-18(13-17)20-10-9-19(14-23-20)22-24-21(25-27-22)16-7-8-16/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3.
What are the key properties of 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 360.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56898718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).