2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

C14H20N6O3 — CID 97391396

IUPAC2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@@H]1Cn2nnc(-c3ccnn3C)c2CO1
InChIInChI=1S/C14H20N6O3/c1-3-22-9-13(21)15-6-10-7-20-12(8-23-10)14(17-18-20)11-4-5-16-19(11)2/h4-5,10H,3,6-9H2,1-2H3,(H,15,21)/t10-/m1/s1
InChIKeyCHIJJQSONNPRNR-SNVBAGLBSA-N
MW320.35 g/mol
LogP-0.27
Rot. Bonds6

About 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide

2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (PubChem CID 97391396) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
PubChem CID97391396
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Name2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
SMILESCCOCC(=O)NC[C@@H]1Cn2nnc(-c3ccnn3C)c2CO1
InChIInChI=1S/C14H20N6O3/c1-3-22-9-13(21)15-6-10-7-20-12(8-23-10)14(17-18-20)11-4-5-16-19(11)2/h4-5,10H,3,6-9H2,1-2H3,(H,15,21)/t10-/m1/s1
InChIKeyCHIJJQSONNPRNR-SNVBAGLBSA-N
XLogP-0.27
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide 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

N-[[3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyrimidin-2-amine
CID 134072304
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97391387
3-methoxy-N-[(3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propanamide
CID 131659044
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 131683679
N-[[3-(2-methylpyrazol-3-yl)-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl]methyl]oxan-4-amine
CID 118746570
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-3-carboxamide
CID 134072332
2-(5-fluoro-2-pyridinyl)-N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 131682235
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
CID 131647206
1-[(3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 131663207
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
1-[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97469248

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide (CID 97391396) is 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is CCOCC(=O)NC[C@@H]1Cn2nnc(-c3ccnn3C)c2CO1.
What is the InChIKey of 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
The InChIKey is CHIJJQSONNPRNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-3-22-9-13(21)15-6-10-7-20-12(8-23-10)14(17-18-20)11-4-5-16-19(11)2/h4-5,10H,3,6-9H2,1-2H3,(H,15,21)/t10-/m1/s1.
What are the key properties of 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide?
2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(6R)-3-(2-methylpyrazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]acetamide is sourced from PubChem (CID 97391396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).