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

C17H21ClN4O2 — CID 126770423

IUPAC1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one
SMILESCC(C)Cc1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)8-15-20-16(24-21-15)10-19-14-9-12(5-6-13(14)18)22-7-3-4-17(22)23/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3
InChIKeyVZXJIZVHQMFKLK-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.66
Rot. Bonds6

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

1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one (PubChem CID 126770423) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one
PubChem CID126770423
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one
SMILESCC(C)Cc1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1
InChIInChI=1S/C17H21ClN4O2/c1-11(2)8-15-20-16(24-21-15)10-19-14-9-12(5-6-13(14)18)22-7-3-4-17(22)23/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3
InChIKeyVZXJIZVHQMFKLK-UHFFFAOYSA-N
XLogP3.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-chloro-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55893231
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
4-chloro-N-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 47064204
1-[4-[(E)-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]pyrrolidin-2-one
CID 120867240
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447
3-chloro-4-ethoxy-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 154834758
N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
CID 134018234
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 134056304
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one (CID 126770423) is 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one is CC(C)Cc1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1.
What is the InChIKey of 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is VZXJIZVHQMFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11(2)8-15-20-16(24-21-15)10-19-14-9-12(5-6-13(14)18)22-7-3-4-17(22)23/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one?
1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 348.83 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 126770423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).