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

C7H10N4O2 — CID 58836482

IUPAC3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1CC(Cn2ccnn2)OC1=O
InChIInChI=1S/C7H10N4O2/c1-10-4-6(13-7(10)12)5-11-3-2-8-9-11/h2-3,6H,4-5H2,1H3
InChIKeyKYDQCKLAIOUOEA-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.27
Rot. Bonds2

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

3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58836482) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID58836482
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCN1CC(Cn2ccnn2)OC1=O
InChIInChI=1S/C7H10N4O2/c1-10-4-6(13-7(10)12)5-11-3-2-8-9-11/h2-3,6H,4-5H2,1H3
InChIKeyKYDQCKLAIOUOEA-UHFFFAOYSA-N
XLogP-0.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58836482) is 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN1CC(Cn2ccnn2)OC1=O.
What is the InChIKey of 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is KYDQCKLAIOUOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-4-6(13-7(10)12)5-11-3-2-8-9-11/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 182.18 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58836482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).