3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one

C12H19N5O3 — CID 66193075

IUPAC3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCC(C)CNCc1cn(CC(=O)N2CCOC2=O)nn1
InChIInChI=1S/C12H19N5O3/c1-9(2)5-13-6-10-7-16(15-14-10)8-11(18)17-3-4-20-12(17)19/h7,9,13H,3-6,8H2,1-2H3
InChIKeyULQXBMDGXHPNJD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.00
Rot. Bonds6

About 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one

3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 66193075) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID66193075
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESCC(C)CNCc1cn(CC(=O)N2CCOC2=O)nn1
InChIInChI=1S/C12H19N5O3/c1-9(2)5-13-6-10-7-16(15-14-10)8-11(18)17-3-4-20-12(17)19/h7,9,13H,3-6,8H2,1-2H3
InChIKeyULQXBMDGXHPNJD-UHFFFAOYSA-N
XLogP0.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one (CID 66193075) is 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one is CC(C)CNCc1cn(CC(=O)N2CCOC2=O)nn1.
What is the InChIKey of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is ULQXBMDGXHPNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-9(2)5-13-6-10-7-16(15-14-10)8-11(18)17-3-4-20-12(17)19/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one?
3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 281.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66193075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).