1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one

C14H16N4O2 — CID 31984142

IUPAC1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1noc(CNc2ccccc2N2CCCC2=O)n1
InChIInChI=1S/C14H16N4O2/c1-10-16-13(20-17-10)9-15-11-5-2-3-6-12(11)18-8-4-7-14(18)19/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyUIWMKONCXUIPMY-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 31984142) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID31984142
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1noc(CNc2ccccc2N2CCCC2=O)n1
InChIInChI=1S/C14H16N4O2/c1-10-16-13(20-17-10)9-15-11-5-2-3-6-12(11)18-8-4-7-14(18)19/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyUIWMKONCXUIPMY-UHFFFAOYSA-N
XLogP2.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682000
1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 41395637
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 61014343
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688006

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one (CID 31984142) is 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one is Cc1noc(CNc2ccccc2N2CCCC2=O)n1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is UIWMKONCXUIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-16-13(20-17-10)9-15-11-5-2-3-6-12(11)18-8-4-7-14(18)19/h2-3,5-6,15H,4,7-9H2,1H3.
What are the key properties of 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 31984142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).