N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine

C15H22N6O — CID 71928489

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
SMILESCN(Cc1noc(C2CC2)n1)C1CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C15H22N6O/c1-20(9-14-18-15(22-19-14)11-2-3-11)12-4-7-21(8-12)10-13-16-5-6-17-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,16,17)
InChIKeyIVLCSDKTWZIFIQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.38
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine (PubChem CID 71928489) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
PubChem CID71928489
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine
SMILESCN(Cc1noc(C2CC2)n1)C1CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C15H22N6O/c1-20(9-14-18-15(22-19-14)11-2-3-11)12-4-7-21(8-12)10-13-16-5-6-17-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,16,17)
InChIKeyIVLCSDKTWZIFIQ-UHFFFAOYSA-N
XLogP1.38
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-3-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 53566155
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]piperidin-3-amine
CID 53617715
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872452
5-Cyclopropyl-3-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122809
5-Cyclopropyl-3-[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122863
5-Cyclopropyl-3-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 72122869
3-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95817633
3-(1H-imidazol-2-ylmethoxymethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 75483490
3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 126840265
4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 136531175
5-cyclopropyl-3-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780234
5-cyclopropyl-3-[(2S)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780235

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine (CID 71928489) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine is CN(Cc1noc(C2CC2)n1)C1CCN(Cc2ncc[nH]2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is IVLCSDKTWZIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-20(9-14-18-15(22-19-14)11-2-3-11)12-4-7-21(8-12)10-13-16-5-6-17-13/h5-6,11-12H,2-4,7-10H2,1H3,(H,16,17).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 302.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1H-imidazol-2-ylmethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).