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

C18H21FN4O2 — CID 124813690

IUPAC(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESC[C@H](c1nc(C2CC2)no1)N(C)[C@H]1CCN(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/t11-,15+/m1/s1
InChIKeyVVHJTVRWAOCEHQ-ABAIWWIYSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds5

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

(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 124813690) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID124813690
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESC[C@H](c1nc(C2CC2)no1)N(C)[C@H]1CCN(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/t11-,15+/m1/s1
InChIKeyVVHJTVRWAOCEHQ-ABAIWWIYSA-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

3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 56788663
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95155264
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one
CID 97212785
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785245
1-(2-fluorophenyl)-3-[methyl-[[3-(2-methylpropoxy)phenyl]methyl]amino]pyrrolidin-2-one
CID 139015673

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 124813690) is (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is C[C@H](c1nc(C2CC2)no1)N(C)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is VVHJTVRWAOCEHQ-ABAIWWIYSA-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/t11-,15+/m1/s1.
What are the key properties of (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
(3S)-3-[[(1R)-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 (3S)-3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 124813690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).