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

C6H7ClN4O2 — CID 141078016

IUPAC5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(Cl)nn2)O1
InChIInChI=1S/C6H7ClN4O2/c7-5-3-11(10-9-5)2-4-1-8-6(12)13-4/h3-4H,1-2H2,(H,8,12)
InChIKeyRMOYASTZPHNKHD-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.04
Rot. Bonds2

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

5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 141078016) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID141078016
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC Name5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cc(Cl)nn2)O1
InChIInChI=1S/C6H7ClN4O2/c7-5-3-11(10-9-5)2-4-1-8-6(12)13-4/h3-4H,1-2H2,(H,8,12)
InChIKeyRMOYASTZPHNKHD-UHFFFAOYSA-N
XLogP0.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.04
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
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-(Triazol-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 142658527
5-(Triazol-1-yl)-1,3-oxazolidin-2-one
CID 142674296

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 141078016) is 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cn2cc(Cl)nn2)O1.
What is the InChIKey of 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RMOYASTZPHNKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2/c7-5-3-11(10-9-5)2-4-1-8-6(12)13-4/h3-4H,1-2H2,(H,8,12).
What are the key properties of 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 202.60 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorotriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141078016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).