3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one

C18H21FN4O2 — CID 56788663

IUPAC3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCC(c1nc(C2CC2)no1)N(C)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H21FN4O2/c1-11(17-20-16(21-25-17)12-7-8-12)22(2)15-9-10-23(18(15)24)14-6-4-3-5-13(14)19/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyVVHJTVRWAOCEHQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds5

About 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one

3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 56788663) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID56788663
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCC(c1nc(C2CC2)no1)N(C)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C18H21FN4O2/c1-11(17-20-16(21-25-17)12-7-8-12)22(2)15-9-10-23(18(15)24)14-6-4-3-5-13(14)19/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyVVHJTVRWAOCEHQ-UHFFFAOYSA-N
XLogP2.88
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 72043194
1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 25338703
1-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-3-phenylurea
CID 25338710
1-(4-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 28960921
3-Ethyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 40141357
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 44091153
1-(2-((4-fluorophenyl)amino)-2-oxoethyl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide
CID 45497724
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 51075886
4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 53015165
4-(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 53183301
1-[3-[[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 53500381
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53562482

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 56788663) is 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is CC(c1nc(C2CC2)no1)N(C)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is VVHJTVRWAOCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(17-20-16(21-25-17)12-7-8-12)22(2)15-9-10-23(18(15)24)14-6-4-3-5-13(14)19/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 56788663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).