3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C16H23N5O4 — CID 165427256

IUPAC3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2nc(C3CCOCC3)nn2CC1
InChIInChI=1S/C16H23N5O4/c22-14(11-20-7-10-25-16(20)23)19-4-1-13-17-15(18-21(13)6-5-19)12-2-8-24-9-3-12/h12H,1-11H2
InChIKeyMJXRULUKBLGHMH-UHFFFAOYSA-N
MW349.39 g/mol
LogP0.01
Rot. Bonds3

About 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 165427256) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID165427256
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2nc(C3CCOCC3)nn2CC1
InChIInChI=1S/C16H23N5O4/c22-14(11-20-7-10-25-16(20)23)19-4-1-13-17-15(18-21(13)6-5-19)12-2-8-24-9-3-12/h12H,1-11H2
InChIKeyMJXRULUKBLGHMH-UHFFFAOYSA-N
XLogP0.01
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-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

Related Compounds

2-[methyl(pyridin-4-ylmethyl)amino]-1-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]ethanone
CID 162626739
1-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-3-phenylprop-2-en-1-one
CID 171156687
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]methanone
CID 162638558
(2-fluoro-4-methylphenyl)-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]methanone
CID 162635150
1,3-dihydro-2-benzofuran-4-yl-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]methanone
CID 162625597
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]methanone
CID 163316633
2-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153253
[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 162633464
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
3-[2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 86286497
3-[2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122343245

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 165427256) is 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCc2nc(C3CCOCC3)nn2CC1.
What is the InChIKey of 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is MJXRULUKBLGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c22-14(11-20-7-10-25-16(20)23)19-4-1-13-17-15(18-21(13)6-5-19)12-2-8-24-9-3-12/h12H,1-11H2.
What are the key properties of 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 349.39 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(oxan-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 165427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).