4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile

C19H23N5O — CID 75373779

IUPAC4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
SMILESCN(Cc1noc(C2CC2)n1)C1CCN(Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C19H23N5O/c1-23(13-18-21-19(25-22-18)16-6-7-16)17-8-9-24(12-17)11-15-4-2-14(10-20)3-5-15/h2-5,16-17H,6-9,11-13H2,1H3
InChIKeyXIBZUXUUIXLYHA-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.52
Rot. Bonds6

About 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile

4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile (PubChem CID 75373779) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
PubChem CID75373779
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
SMILESCN(Cc1noc(C2CC2)n1)C1CCN(Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C19H23N5O/c1-23(13-18-21-19(25-22-18)16-6-7-16)17-8-9-24(12-17)11-15-4-2-14(10-20)3-5-15/h2-5,16-17H,6-9,11-13H2,1H3
InChIKeyXIBZUXUUIXLYHA-UHFFFAOYSA-N
XLogP2.52
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 97217379
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074208
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 75373783
4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 95780111
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97217433
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373786
(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 97061477
1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 75373765
N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 95780172
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 95978626
1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 71872707

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile (CID 75373779) is 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile is CN(Cc1noc(C2CC2)n1)C1CCN(Cc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile?
The InChIKey is XIBZUXUUIXLYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23(13-18-21-19(25-22-18)16-6-7-16)17-8-9-24(12-17)11-15-4-2-14(10-20)3-5-15/h2-5,16-17H,6-9,11-13H2,1H3.
What are the key properties of 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile?
4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 75373779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).