3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one

C8H12N4O2 — CID 106402196

IUPAC3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one
SMILESCNC1CCN(Cc2ncon2)C1=O
InChIInChI=1S/C8H12N4O2/c1-9-6-2-3-12(8(6)13)4-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3
InChIKeyQCPHUPCCEUCKRJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.61
Rot. Bonds3

About 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one

3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one (PubChem CID 106402196) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one
PubChem CID106402196
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one
SMILESCNC1CCN(Cc2ncon2)C1=O
InChIInChI=1S/C8H12N4O2/c1-9-6-2-3-12(8(6)13)4-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3
InChIKeyQCPHUPCCEUCKRJ-UHFFFAOYSA-N
XLogP-0.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-one
CID 106408300
3-(cyclopropylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-one
CID 106408298
7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one
CID 20590296
3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one
CID 20798960
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methanamine
CID 63249054
N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]formamide
CID 123875795
3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
CID 114956294
3-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106402267
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one
CID 20590162

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one (CID 106402196) is 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one is CNC1CCN(Cc2ncon2)C1=O.
What is the InChIKey of 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is QCPHUPCCEUCKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-9-6-2-3-12(8(6)13)4-7-10-5-14-11-7/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one?
3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 196.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 106402196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).