N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

C20H21N3O5 — CID 95209994

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCN(C[C@H]1COCCO1)C(=O)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C20H21N3O5/c1-23(10-15-11-25-8-9-26-15)20(24)16-12-28-18(22-16)13-27-17-6-2-4-14-5-3-7-21-19(14)17/h2-7,12,15H,8-11,13H2,1H3/t15-/m0/s1
InChIKeyPYVWGHAIPCDBPY-HNNXBMFYSA-N
MW383.40 g/mol
LogP2.29
Rot. Bonds6

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 95209994) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID95209994
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCN(C[C@H]1COCCO1)C(=O)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C20H21N3O5/c1-23(10-15-11-25-8-9-26-15)20(24)16-12-28-18(22-16)13-27-17-6-2-4-14-5-3-7-21-19(14)17/h2-7,12,15H,8-11,13H2,1H3/t15-/m0/s1
InChIKeyPYVWGHAIPCDBPY-HNNXBMFYSA-N
XLogP2.29
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95388525
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 86285322
methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 26406157
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42147990
2-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 45253177
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350
N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200229
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 29115615
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-N-methylbenzamide
CID 86287110
N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42516268

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 95209994) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is CN(C[C@H]1COCCO1)C(=O)c1coc(COc2cccc3cccnc23)n1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PYVWGHAIPCDBPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-23(10-15-11-25-8-9-26-15)20(24)16-12-28-18(22-16)13-27-17-6-2-4-14-5-3-7-21-19(14)17/h2-7,12,15H,8-11,13H2,1H3/t15-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95209994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).