5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one

C6H8N4O3 — CID 141078030

IUPAC5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(O)nn2)O1
InChIInChI=1S/C6H8N4O3/c11-5-3-10(9-8-5)2-4-1-7-6(12)13-4/h3-4,11H,1-2H2,(H,7,12)
InChIKeyNXWGWILRCRDINY-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.91
Rot. Bonds2

About 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 141078030) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID141078030
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(O)nn2)O1
InChIInChI=1S/C6H8N4O3/c11-5-3-10(9-8-5)2-4-1-7-6(12)13-4/h3-4,11H,1-2H2,(H,7,12)
InChIKeyNXWGWILRCRDINY-UHFFFAOYSA-N
XLogP-0.91
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-Fluorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141078029
5-[1,2,3]Triazol-1-ylmethyl-oxazolidin-2-one
CID 58778320
(5R)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59994668
5-[(4-Ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077994
5-(Triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 142658527

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 141078030) is 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(O)nn2)O1.
What is the InChIKey of 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is NXWGWILRCRDINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c11-5-3-10(9-8-5)2-4-1-7-6(12)13-4/h3-4,11H,1-2H2,(H,7,12).
What are the key properties of 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 184.15 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141078030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).