3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one

C11H14N4O3 — CID 72921597

IUPAC3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H14N4O3/c16-10(6-15-3-4-18-11(15)17)14-2-1-8-9(5-14)13-7-12-8/h7H,1-6H2,(H,12,13)
InChIKeyRNGDMOPWCDQZPZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.25
Rot. Bonds2

About 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 72921597) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID72921597
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H14N4O3/c16-10(6-15-3-4-18-11(15)17)14-2-1-8-9(5-14)13-7-12-8/h7H,1-6H2,(H,12,13)
InChIKeyRNGDMOPWCDQZPZ-UHFFFAOYSA-N
XLogP-0.25
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one (CID 72921597) is 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is RNGDMOPWCDQZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-10(6-15-3-4-18-11(15)17)14-2-1-8-9(5-14)13-7-12-8/h7H,1-6H2,(H,12,13).
What are the key properties of 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 250.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72921597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).