5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C6H8N4O2 — CID 58778320

IUPAC5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2ccnn2)O1
InChIInChI=1S/C6H8N4O2/c11-6-7-3-5(12-6)4-10-2-1-8-9-10/h1-2,5H,3-4H2,(H,7,11)
InChIKeyITFGTTNNFLMRSG-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.61
Rot. Bonds2

About 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58778320) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID58778320
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2ccnn2)O1
InChIInChI=1S/C6H8N4O2/c11-6-7-3-5(12-6)4-10-2-1-8-9-10/h1-2,5H,3-4H2,(H,7,11)
InChIKeyITFGTTNNFLMRSG-UHFFFAOYSA-N
XLogP-0.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58778320) is 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NCC(Cn2ccnn2)O1.
What is the InChIKey of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ITFGTTNNFLMRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-6-7-3-5(12-6)4-10-2-1-8-9-10/h1-2,5H,3-4H2,(H,7,11).
What are the key properties of 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 168.16 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58778320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).