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

C16H19FN4O2 — CID 95623639

IUPAC(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCc1nc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)no1
InChIInChI=1S/C16H19FN4O2/c1-3-15-18-14(19-23-15)10-20(2)13-8-9-21(16(13)22)12-7-5-4-6-11(12)17/h4-7,13H,3,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBNUFXSKMIDHMRF-CYBMUJFWSA-N
MW318.35 g/mol
LogP2.01
Rot. Bonds5

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

(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 95623639) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID95623639
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCc1nc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)no1
InChIInChI=1S/C16H19FN4O2/c1-3-15-18-14(19-23-15)10-20(2)13-8-9-21(16(13)22)12-7-5-4-6-11(12)17/h4-7,13H,3,8-10H2,1-2H3/t13-/m1/s1
InChIKeyBNUFXSKMIDHMRF-CYBMUJFWSA-N
XLogP2.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one (CID 95623639) is (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is CCc1nc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)no1.
What is the InChIKey of (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is BNUFXSKMIDHMRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-3-15-18-14(19-23-15)10-20(2)13-8-9-21(16(13)22)12-7-5-4-6-11(12)17/h4-7,13H,3,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one?
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 318.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 95623639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).