3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one

C17H19N5O3 — CID 72902442

IUPAC3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2nnc(-c3ccccc3)n2CC1
InChIInChI=1S/C17H19N5O3/c23-15(12-21-10-11-25-17(21)24)20-7-6-14-18-19-16(22(14)9-8-20)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyLPUMNKNEFXTCGN-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.78
Rot. Bonds3

About 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 72902442) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID72902442
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2nnc(-c3ccccc3)n2CC1
InChIInChI=1S/C17H19N5O3/c23-15(12-21-10-11-25-17(21)24)20-7-6-14-18-19-16(22(14)9-8-20)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyLPUMNKNEFXTCGN-UHFFFAOYSA-N
XLogP0.78
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one (CID 72902442) is 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCc2nnc(-c3ccccc3)n2CC1.
What is the InChIKey of 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is LPUMNKNEFXTCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15(12-21-10-11-25-17(21)24)20-7-6-14-18-19-16(22(14)9-8-20)13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 341.37 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72902442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).