N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine

C15H24N6O — CID 75464234

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
SMILESCCc1nc(CN(C)C2CCN(CCn3cccn3)C2)no1
InChIInChI=1S/C15H24N6O/c1-3-15-17-14(18-22-15)12-19(2)13-5-8-20(11-13)9-10-21-7-4-6-16-21/h4,6-7,13H,3,5,8-12H2,1-2H3
InChIKeySBMWQDJOFQENKM-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.03
Rot. Bonds7

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine (PubChem CID 75464234) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
PubChem CID75464234
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
SMILESCCc1nc(CN(C)C2CCN(CCn3cccn3)C2)no1
InChIInChI=1S/C15H24N6O/c1-3-15-17-14(18-22-15)12-19(2)13-5-8-20(11-13)9-10-21-7-4-6-16-21/h4,6-7,13H,3,5,8-12H2,1-2H3
InChIKeySBMWQDJOFQENKM-UHFFFAOYSA-N
XLogP1.03
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 45818483
4-[(5-Methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53561788
4-[(5-Propyl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 53562875
3-Propyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53592816
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
5-Cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53598745
3-Cyclopropyl-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53601435
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53604518
3-(2-Methoxyethyl)-5-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53618926
5-Cyclopropyl-3-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53619029
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 53623480
5-Cyclopropyl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53625998

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine (CID 75464234) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine is CCc1nc(CN(C)C2CCN(CCn3cccn3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
The InChIKey is SBMWQDJOFQENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-15-17-14(18-22-15)12-19(2)13-5-8-20(11-13)9-10-21-7-4-6-16-21/h4,6-7,13H,3,5,8-12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine has a molecular weight of 304.40 g/mol, XLogP of 1.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 75464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).