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

C20H20N4O2 — CID 133481959

IUPAC1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(CNc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O2/c25-18-10-5-11-24(18)14-16-7-4-6-15(12-16)13-21-20-22-19(26-23-20)17-8-2-1-3-9-17/h1-4,6-9,12H,5,10-11,13-14H2,(H,21,23)
InChIKeyDDGKVWBHLIZPCI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.47
Rot. Bonds6

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

1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 133481959) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID133481959
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cccc(CNc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20N4O2/c25-18-10-5-11-24(18)14-16-7-4-6-15(12-16)13-21-20-22-19(26-23-20)17-8-2-1-3-9-17/h1-4,6-9,12H,5,10-11,13-14H2,(H,21,23)
InChIKeyDDGKVWBHLIZPCI-UHFFFAOYSA-N
XLogP3.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[3-[5-(5-methoxy-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrrolidin-2-one
CID 126816355
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 71823766
1-[[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one;hydroiodide
CID 110915322
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929380
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile
CID 60502637
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 86880052
1-[[3-[[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 119108010
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78868323
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-phenylguanidine
CID 110915327

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 133481959) is 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cccc(CNc2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is DDGKVWBHLIZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-10-5-11-24(18)14-16-7-4-6-15(12-16)13-21-20-22-19(26-23-20)17-8-2-1-3-9-17/h1-4,6-9,12H,5,10-11,13-14H2,(H,21,23).
What are the key properties of 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 133481959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).