(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine

C18H27N5O — CID 129342366

IUPAC(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine
SMILESCCc1noc([C@H](C)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1
InChIInChI=1S/C18H27N5O/c1-5-16-20-18(24-21-16)13(2)23(4)12-15-8-10-22(3)17(15)14-7-6-9-19-11-14/h6-7,9,11,13,15,17H,5,8,10,12H2,1-4H3/t13-,15-,17-/m0/s1
InChIKeySYMWSCHXXDHBGL-QRTARXTBSA-N
MW329.45 g/mol
LogP2.71
Rot. Bonds6

About (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine

(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine (PubChem CID 129342366) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine
PubChem CID129342366
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine
SMILESCCc1noc([C@H](C)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1
InChIInChI=1S/C18H27N5O/c1-5-16-20-18(24-21-16)13(2)23(4)12-15-8-10-22(3)17(15)14-7-6-9-19-11-14/h6-7,9,11,13,15,17H,5,8,10,12H2,1-4H3/t13-,15-,17-/m0/s1
InChIKeySYMWSCHXXDHBGL-QRTARXTBSA-N
XLogP2.71
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine (CID 129342366) is (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine is CCc1noc([C@H](C)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1.
What is the InChIKey of (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is SYMWSCHXXDHBGL-QRTARXTBSA-N. The full InChI is InChI=1S/C18H27N5O/c1-5-16-20-18(24-21-16)13(2)23(4)12-15-8-10-22(3)17(15)14-7-6-9-19-11-14/h6-7,9,11,13,15,17H,5,8,10,12H2,1-4H3/t13-,15-,17-/m0/s1.
What are the key properties of (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine?
(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 329.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 129342366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).