[5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone

C16H20N4O3 — CID 146613968

IUPAC[5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone
SMILESCCc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2CO)c1
InChIInChI=1S/C16H20N4O3/c1-2-12-4-5-14(20-17-6-7-18-20)13(10-12)16(22)19-8-3-9-23-15(19)11-21/h4-7,10,15,21H,2-3,8-9,11H2,1H3/t15-/m0/s1
InChIKeyXURWYTXUVBAHSZ-HNNXBMFYSA-N
MW316.36 g/mol
LogP1.01
Rot. Bonds4

About [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone

[5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone (PubChem CID 146613968) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone
PubChem CID146613968
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone
SMILESCCc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2CO)c1
InChIInChI=1S/C16H20N4O3/c1-2-12-4-5-14(20-17-6-7-18-20)13(10-12)16(22)19-8-3-9-23-15(19)11-21/h4-7,10,15,21H,2-3,8-9,11H2,1H3/t15-/m0/s1
InChIKeyXURWYTXUVBAHSZ-HNNXBMFYSA-N
XLogP1.01
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone 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-1,3-oxazinan-3-yl)-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 137419861
[2-(hydroxymethyl)-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020544
[2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 72704196
[2-(hydroxymethyl)-5-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020540
[2-[[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 72704000
[2-(hydroxymethyl)-2,4-dihydro-1,3-oxazin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 151924765
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46204245
[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355176
ethyl 5-methyl-3-[5-methyl-2-(triazol-2-yl)benzoyl]-1,3-oxazinane-2-carboxylate
CID 118020502
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 70226915
[(2S)-2-[3-(2-ethylphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134611812
[(3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 129025807

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone?
The IUPAC name of [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone (CID 146613968) is [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone.
What is the SMILES notation for [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone?
The canonical SMILES for [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone is CCc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2CO)c1.
What is the InChIKey of [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone?
The InChIKey is XURWYTXUVBAHSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-12-4-5-14(20-17-6-7-18-20)13(10-12)16(22)19-8-3-9-23-15(19)11-21/h4-7,10,15,21H,2-3,8-9,11H2,1H3/t15-/m0/s1.
What are the key properties of [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone?
[5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone has a molecular weight of 316.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-(triazol-2-yl)phenyl]-[(2S)-2-(hydroxymethyl)-1,3-oxazinan-3-yl]methanone is sourced from PubChem (CID 146613968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).