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

C18H22N4O2 — CID 120867240

IUPAC1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
SMILESCNC(C)Cc1noc(/C=C/c2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-13(19-2)12-16-20-17(24-21-16)10-7-14-5-8-15(9-6-14)22-11-3-4-18(22)23/h5-10,13,19H,3-4,11-12H2,1-2H3/b10-7+
InChIKeyDSDAWVZQDNXZDC-JXMROGBWSA-N
MW326.40 g/mol
LogP2.52
Rot. Bonds6

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

1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one (PubChem CID 120867240) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
PubChem CID120867240
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
SMILESCNC(C)Cc1noc(/C=C/c2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-13(19-2)12-16-20-17(24-21-16)10-7-14-5-8-15(9-6-14)22-11-3-4-18(22)23/h5-10,13,19H,3-4,11-12H2,1-2H3/b10-7+
InChIKeyDSDAWVZQDNXZDC-JXMROGBWSA-N
XLogP2.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120861694
1-[5-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865999
1-[5-[(E)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866765
1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one
CID 126770423
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 35844367
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[5-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869132
4-methylpentan-2-yl (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 60584561
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24611227
4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 120868130
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one (CID 120867240) is 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one is CNC(C)Cc1noc(/C=C/c2ccc(N3CCCC3=O)cc2)n1.
What is the InChIKey of 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one?
The InChIKey is DSDAWVZQDNXZDC-JXMROGBWSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(19-2)12-16-20-17(24-21-16)10-7-14-5-8-15(9-6-14)22-11-3-4-18(22)23/h5-10,13,19H,3-4,11-12H2,1-2H3/b10-7+.
What are the key properties of 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one?
1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 120867240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).