(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one

C17H23N5O2 — CID 135102204

IUPAC(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1nnc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)o1
InChIInChI=1S/C17H23N5O2/c1-12(2)17-21-20-16(24-17)11-22(9-13-5-3-4-8-18-13)10-14-6-7-15(23)19-14/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyGMLNVWGASLXVJT-AWEZNQCLSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds7

About (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 135102204) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID135102204
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCC(C)c1nnc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)o1
InChIInChI=1S/C17H23N5O2/c1-12(2)17-21-20-16(24-17)11-22(9-13-5-3-4-8-18-13)10-14-6-7-15(23)19-14/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeyGMLNVWGASLXVJT-AWEZNQCLSA-N
XLogP1.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
5,6-dimethyl-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 70719764
(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 42195697
2-tert-butyl-6-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70725136
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 72850195
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-phenyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 155491458
(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
CID 123624620
6-chloro-2-oxo-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 171387881
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
CID 70736934
(5R)-5-[[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 26411736
2-[methyl(pyridin-2-ylmethyl)amino]-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 125155321
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 135102204) is (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one is CC(C)c1nnc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)o1.
What is the InChIKey of (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is GMLNVWGASLXVJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)17-21-20-16(24-17)11-22(9-13-5-3-4-8-18-13)10-14-6-7-15(23)19-14/h3-5,8,12,14H,6-7,9-11H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 135102204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).