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

C5H6N4O2 — CID 142674296

IUPAC5-(triazol-1-yl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(n2ccnn2)O1
InChIInChI=1S/C5H6N4O2/c10-5-6-3-4(11-5)9-2-1-7-8-9/h1-2,4H,3H2,(H,6,10)
InChIKeyYYYVXBSCJNTSKF-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.48
Rot. Bonds1

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

5-(triazol-1-yl)-1,3-oxazolidin-2-one (PubChem CID 142674296) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 5-(triazol-1-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(triazol-1-yl)-1,3-oxazolidin-2-one
PubChem CID142674296
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name5-(triazol-1-yl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(n2ccnn2)O1
InChIInChI=1S/C5H6N4O2/c10-5-6-3-4(11-5)9-2-1-7-8-9/h1-2,4H,3H2,(H,6,10)
InChIKeyYYYVXBSCJNTSKF-UHFFFAOYSA-N
XLogP-0.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078029
2,2,2-trifluoroethyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 104096773
5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59994668
1,3-oxazolidin-2-one;2H-triazole
CID 69133755
2-(Triazol-1-ylmethyl)-1,3-oxazolidine
CID 139972157
5-[(4-Chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078016
5-(triazol-1-ylmethyl)-3H-1,3-oxazol-2-one
CID 141162889
5-(Triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 142658527
[(2R)-1-(triazol-1-yl)propan-2-yl] N-methylcarbamate
CID 175358391
Methyl 2-[[2-(triazol-1-yl)acetyl]amino]acetate
CID 79807298
ethyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 104100628

Frequently Asked Questions

What is the IUPAC name of 5-(triazol-1-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(triazol-1-yl)-1,3-oxazolidin-2-one (CID 142674296) is 5-(triazol-1-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(triazol-1-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(triazol-1-yl)-1,3-oxazolidin-2-one is O=C1NCC(n2ccnn2)O1.
What is the InChIKey of 5-(triazol-1-yl)-1,3-oxazolidin-2-one?
The InChIKey is YYYVXBSCJNTSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c10-5-6-3-4(11-5)9-2-1-7-8-9/h1-2,4H,3H2,(H,6,10).
What are the key properties of 5-(triazol-1-yl)-1,3-oxazolidin-2-one?
5-(triazol-1-yl)-1,3-oxazolidin-2-one has a molecular weight of 154.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(triazol-1-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142674296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).