(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

C17H26N6O2 — CID 98772573

IUPAC(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1nc(CN(C)[C@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)no1
InChIInChI=1S/C17H26N6O2/c1-4-15-18-14(20-24-15)10-22(3)13-7-8-23(9-13)11(2)17-19-16(21-25-17)12-5-6-12/h11-13H,4-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyDZNCXMRJUJWTGH-YPMHNXCESA-N
MW346.44 g/mol
LogP2.16
Rot. Bonds7

About (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 98772573) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID98772573
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCc1nc(CN(C)[C@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)no1
InChIInChI=1S/C17H26N6O2/c1-4-15-18-14(20-24-15)10-22(3)13-7-8-23(9-13)11(2)17-19-16(21-25-17)12-5-6-12/h11-13H,4-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyDZNCXMRJUJWTGH-YPMHNXCESA-N
XLogP2.16
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine with MolForge

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Related Compounds

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 75422459
(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 97217440
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
(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
(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
N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 96512147
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685
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
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 86904720
3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 98772573) is (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is CCc1nc(CN(C)[C@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)no1.
What is the InChIKey of (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is DZNCXMRJUJWTGH-YPMHNXCESA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-15-18-14(20-24-15)10-22(3)13-7-8-23(9-13)11(2)17-19-16(21-25-17)12-5-6-12/h11-13H,4-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
(3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 346.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 98772573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).