1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone

C19H32N4O2 — CID 71872557

IUPAC1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCCc1cnc(CN(C)C2CCN(CC3CCN(C(C)=O)CC3)C2)o1
InChIInChI=1S/C19H32N4O2/c1-4-18-11-20-19(25-18)14-21(3)17-7-8-22(13-17)12-16-5-9-23(10-6-16)15(2)24/h11,16-17H,4-10,12-14H2,1-3H3
InChIKeyLPSYUDLYFWCLTN-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.00
Rot. Bonds6

About 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 71872557) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID71872557
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCCc1cnc(CN(C)C2CCN(CC3CCN(C(C)=O)CC3)C2)o1
InChIInChI=1S/C19H32N4O2/c1-4-18-11-20-19(25-18)14-21(3)17-7-8-22(13-17)12-16-5-9-23(10-6-16)15(2)24/h11,16-17H,4-10,12-14H2,1-3H3
InChIKeyLPSYUDLYFWCLTN-UHFFFAOYSA-N
XLogP2.00
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone (CID 71872557) is 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone is CCc1cnc(CN(C)C2CCN(CC3CCN(C(C)=O)CC3)C2)o1.
What is the InChIKey of 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LPSYUDLYFWCLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-18-11-20-19(25-18)14-21(3)17-7-8-22(13-17)12-16-5-9-23(10-6-16)15(2)24/h11,16-17H,4-10,12-14H2,1-3H3.
What are the key properties of 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71872557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).