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

C19H26N4O2 — CID 120868130

IUPAC4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(N2CC(c3nc(CC(C)NC)no3)CC2=O)cc1
InChIInChI=1S/C19H26N4O2/c1-4-5-14-6-8-16(9-7-14)23-12-15(11-18(23)24)19-21-17(22-25-19)10-13(2)20-3/h6-9,13,15,20H,4-5,10-12H2,1-3H3
InChIKeyBNAWBGRKYPRFKL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.69
Rot. Bonds7

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

4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one (PubChem CID 120868130) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
PubChem CID120868130
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
SMILESCCCc1ccc(N2CC(c3nc(CC(C)NC)no3)CC2=O)cc1
InChIInChI=1S/C19H26N4O2/c1-4-5-14-6-8-16(9-7-14)23-12-15(11-18(23)24)19-21-17(22-25-19)10-13(2)20-3/h6-9,13,15,20H,4-5,10-12H2,1-3H3
InChIKeyBNAWBGRKYPRFKL-UHFFFAOYSA-N
XLogP2.69
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one;hydrochloride
CID 120868561
1-(4-chlorophenyl)-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 120868638
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 120893123
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97454970
(4R)-1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41455288
1-(4-ethylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 16956006
(4S)-4-[3-[2-(benzenesulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95050531
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120892896
(4R)-1-(4-chlorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896227
4-[4-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 166213110

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one (CID 120868130) is 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one is CCCc1ccc(N2CC(c3nc(CC(C)NC)no3)CC2=O)cc1.
What is the InChIKey of 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one?
The InChIKey is BNAWBGRKYPRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-5-14-6-8-16(9-7-14)23-12-15(11-18(23)24)19-21-17(22-25-19)10-13(2)20-3/h6-9,13,15,20H,4-5,10-12H2,1-3H3.
What are the key properties of 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one?
4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 120868130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).