3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H29N5O4 — CID 72887862

IUPAC3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1
InChIInChI=1S/C20H29N5O4/c26-17-2-3-20(15-25(17)8-1-7-22-11-6-21-16-22)4-9-23(10-5-20)18(27)14-24-12-13-29-19(24)28/h6,11,16H,1-5,7-10,12-15H2
InChIKeyLYBUKLOEANIHNX-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.96
Rot. Bonds6

About 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 72887862) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID72887862
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Name3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1
InChIInChI=1S/C20H29N5O4/c26-17-2-3-20(15-25(17)8-1-7-22-11-6-21-16-22)4-9-23(10-5-20)18(27)14-24-12-13-29-19(24)28/h6,11,16H,1-5,7-10,12-15H2
InChIKeyLYBUKLOEANIHNX-UHFFFAOYSA-N
XLogP0.96
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 72887862) is 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1.
What is the InChIKey of 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is LYBUKLOEANIHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c26-17-2-3-20(15-25(17)8-1-7-22-11-6-21-16-22)4-9-23(10-5-20)18(27)14-24-12-13-29-19(24)28/h6,11,16H,1-5,7-10,12-15H2.
What are the key properties of 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-imidazol-1-ylpropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72887862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).