2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone

C20H33FN4O2 — CID 90860154

IUPAC2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone
SMILESCCC1(CC)C(Cc2noc(C)n2)CCC1NCC(=O)N1CC(F)CC1C
InChIInChI=1S/C20H33FN4O2/c1-5-20(6-2)15(10-18-23-14(4)27-24-18)7-8-17(20)22-11-19(26)25-12-16(21)9-13(25)3/h13,15-17,22H,5-12H2,1-4H3
InChIKeyQSVVLIISAYRHQA-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.05
Rot. Bonds7

About 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone

2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone (PubChem CID 90860154) has the molecular formula C20H33FN4O2 and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone
PubChem CID90860154
Molecular FormulaC20H33FN4O2
Molecular Weight380.51 g/mol
Exact Mass380.26
IUPAC Name2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone
SMILESCCC1(CC)C(Cc2noc(C)n2)CCC1NCC(=O)N1CC(F)CC1C
InChIInChI=1S/C20H33FN4O2/c1-5-20(6-2)15(10-18-23-14(4)27-24-18)7-8-17(20)22-11-19(26)25-12-16(21)9-13(25)3/h13,15-17,22H,5-12H2,1-4H3
InChIKeyQSVVLIISAYRHQA-UHFFFAOYSA-N
XLogP3.05
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone (CID 90860154) is 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone is CCC1(CC)C(Cc2noc(C)n2)CCC1NCC(=O)N1CC(F)CC1C.
What is the InChIKey of 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is QSVVLIISAYRHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O2/c1-5-20(6-2)15(10-18-23-14(4)27-24-18)7-8-17(20)22-11-19(26)25-12-16(21)9-13(25)3/h13,15-17,22H,5-12H2,1-4H3.
What are the key properties of 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone?
2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 380.51 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-diethyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentyl]amino]-1-(4-fluoro-2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 90860154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).