5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C14H19N5O3 — CID 141077995

IUPAC5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CC#CCN3CCOCC3)nn2)O1
InChIInChI=1S/C14H19N5O3/c20-14-15-9-13(22-14)11-19-10-12(16-17-19)3-1-2-4-18-5-7-21-8-6-18/h10,13H,3-9,11H2,(H,15,20)
InChIKeyWBGUTGWFPIICFW-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.74
Rot. Bonds4

About 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 141077995) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID141077995
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(CC#CCN3CCOCC3)nn2)O1
InChIInChI=1S/C14H19N5O3/c20-14-15-9-13(22-14)11-19-10-12(16-17-19)3-1-2-4-18-5-7-21-8-6-18/h10,13H,3-9,11H2,(H,15,20)
InChIKeyWBGUTGWFPIICFW-UHFFFAOYSA-N
XLogP-0.74
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 141077995) is 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(CC#CCN3CCOCC3)nn2)O1.
What is the InChIKey of 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is WBGUTGWFPIICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c20-14-15-9-13(22-14)11-19-10-12(16-17-19)3-1-2-4-18-5-7-21-8-6-18/h10,13H,3-9,11H2,(H,15,20).
What are the key properties of 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 305.34 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-morpholin-4-ylbut-2-ynyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141077995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).