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

C20H21N3O4 — CID 95200229

IUPACN-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESC[C@]1(CNC(=O)c2coc(COc3cccc4cccnc34)n2)CCCO1
InChIInChI=1S/C20H21N3O4/c1-20(8-4-10-27-20)13-22-19(24)15-11-26-17(23-15)12-25-16-7-2-5-14-6-3-9-21-18(14)16/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyYOLQOQKYPYELEA-HXUWFJFHSA-N
MW367.41 g/mol
LogP3.10
Rot. Bonds6

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

N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 95200229) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID95200229
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESC[C@]1(CNC(=O)c2coc(COc3cccc4cccnc34)n2)CCCO1
InChIInChI=1S/C20H21N3O4/c1-20(8-4-10-27-20)13-22-19(24)15-11-26-17(23-15)12-25-16-7-2-5-14-6-3-9-21-18(14)16/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyYOLQOQKYPYELEA-HXUWFJFHSA-N
XLogP3.10
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 26406157
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42516268
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56705364
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42189711
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 95394174
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455
6-amino-N-[(2-methyloxolan-2-yl)methyl]pyrazine-2-carboxamide
CID 114036007
2-(isoquinolin-5-yloxymethyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 42288089

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 95200229) is N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is C[C@]1(CNC(=O)c2coc(COc3cccc4cccnc34)n2)CCCO1.
What is the InChIKey of N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YOLQOQKYPYELEA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(8-4-10-27-20)13-22-19(24)15-11-26-17(23-15)12-25-16-7-2-5-14-6-3-9-21-18(14)16/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95200229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).