methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate

C9H13N5O4 — CID 141078010

IUPACmethyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C9H13N5O4/c1-17-8(15)10-2-6-4-14(13-12-6)5-7-3-11-9(16)18-7/h4,7H,2-3,5H2,1H3,(H,10,15)(H,11,16)
InChIKeyUIVPJBUDRWRVKX-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.76
Rot. Bonds4

About methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate

methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate (PubChem CID 141078010) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate
PubChem CID141078010
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Namemethyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1cn(CC2CNC(=O)O2)nn1
InChIInChI=1S/C9H13N5O4/c1-17-8(15)10-2-6-4-14(13-12-6)5-7-3-11-9(16)18-7/h4,7H,2-3,5H2,1H3,(H,10,15)(H,11,16)
InChIKeyUIVPJBUDRWRVKX-UHFFFAOYSA-N
XLogP-0.76
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate?
The IUPAC name of methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate (CID 141078010) is methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate is COC(=O)NCc1cn(CC2CNC(=O)O2)nn1.
What is the InChIKey of methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate?
The InChIKey is UIVPJBUDRWRVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c1-17-8(15)10-2-6-4-14(13-12-6)5-7-3-11-9(16)18-7/h4,7H,2-3,5H2,1H3,(H,10,15)(H,11,16).
What are the key properties of methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate?
methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate has a molecular weight of 255.23 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]carbamate is sourced from PubChem (CID 141078010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).