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

C14H23N7O — CID 71872697

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
SMILESCCc1nc(CN(C)C2CCN(CCn3cncn3)C2)no1
InChIInChI=1S/C14H23N7O/c1-3-14-17-13(18-22-14)9-19(2)12-4-5-20(8-12)6-7-21-11-15-10-16-21/h10-12H,3-9H2,1-2H3
InChIKeyIOCYYUGLVLJFPE-UHFFFAOYSA-N
MW305.39 g/mol
LogP0.43
Rot. Bonds7

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine (PubChem CID 71872697) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
PubChem CID71872697
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine
SMILESCCc1nc(CN(C)C2CCN(CCn3cncn3)C2)no1
InChIInChI=1S/C14H23N7O/c1-3-14-17-13(18-22-14)9-19(2)12-4-5-20(8-12)6-7-21-11-15-10-16-21/h10-12H,3-9H2,1-2H3
InChIKeyIOCYYUGLVLJFPE-UHFFFAOYSA-N
XLogP0.43
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 71872707
(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 97217440
N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 96512147
(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512160
(2S)-1-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95780183
(3S)-1-(1,3-benzoxazol-2-ylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512131
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373793
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95780185
1-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 97217379
(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512086
(3S)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512087

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine (CID 71872697) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine is CCc1nc(CN(C)C2CCN(CCn3cncn3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is IOCYYUGLVLJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-3-14-17-13(18-22-14)9-19(2)12-4-5-20(8-12)6-7-21-11-15-10-16-21/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 305.39 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71872697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).