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

C7H10N4O2 — CID 141077356

IUPAC5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C7H10N4O2/c1-5-3-11(10-9-5)4-6-2-8-7(12)13-6/h3,6H,2,4H2,1H3,(H,8,12)
InChIKeySNMNPCQLVQXACJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.31
Rot. Bonds2

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

5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 141077356) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID141077356
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C7H10N4O2/c1-5-3-11(10-9-5)4-6-2-8-7(12)13-6/h3,6H,2,4H2,1H3,(H,8,12)
InChIKeySNMNPCQLVQXACJ-UHFFFAOYSA-N
XLogP-0.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(Fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 58840986
5-[[4-(Trifluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 141077997
t-Butyl {[1-(2-hydroxyethyl)-1h-1,2,3-triazol4-yl]methyl}carbamate
CID 51032355
(5R)-3-methyl-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 57588285
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-(Aminomethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62055901
5-[[4-(2-Hydroxyethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62400194
5-[[4-(Hydroxymethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
CID 62401843
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl N-[[1-(2-methoxyethyl)triazol-4-yl]methyl]carbamate
CID 89778069
tert-butyl (3-(4-(aminomethyl)-1H-1,2,3-triazol-1-yl)propyl)carbamate
CID 121208835
(5R)-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141075048

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 141077356) is 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1cn(CC2CNC(=O)O2)nn1.
What is the InChIKey of 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is SNMNPCQLVQXACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-5-3-11(10-9-5)4-6-2-8-7(12)13-6/h3,6H,2,4H2,1H3,(H,8,12).
What are the key properties of 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 182.18 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141077356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).