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

C17H16N4O2S — CID 17399408

IUPAC1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N4O2S/c22-16-8-3-9-21(16)13-6-2-1-5-12(13)18-11-15-19-17(20-23-15)14-7-4-10-24-14/h1-2,4-7,10,18H,3,8-9,11H2
InChIKeyTZMCAZSRLYAHJW-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.54
Rot. Bonds5

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

1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 17399408) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID17399408
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N4O2S/c22-16-8-3-9-21(16)13-6-2-1-5-12(13)18-11-15-19-17(20-23-15)14-7-4-10-24-14/h1-2,4-7,10,18H,3,8-9,11H2
InChIKeyTZMCAZSRLYAHJW-UHFFFAOYSA-N
XLogP3.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
2-(morpholin-4-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 55917812
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 28737412
N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24652788
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682000
7-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-one
CID 99817916
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 24610009
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethoxy)aniline
CID 31418029
1-phenyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,3-dione
CID 167997716

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one (CID 17399408) is 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NCc1nc(-c2cccs2)no1.
What is the InChIKey of 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is TZMCAZSRLYAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16-8-3-9-21(16)13-6-2-1-5-12(13)18-11-15-19-17(20-23-15)14-7-4-10-24-14/h1-2,4-7,10,18H,3,8-9,11H2.
What are the key properties of 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 340.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 17399408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).