azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone

C21H23N3O3 — CID 25282286

IUPACazocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCCCCCC1
InChIInChI=1S/C21H23N3O3/c25-21(24-11-4-2-1-3-5-12-24)19-14-27-20(23-19)15-26-17-8-9-18-16(13-17)7-6-10-22-18/h6-10,13-14H,1-5,11-12,15H2
InChIKeyWFKKUAKVKBBEKL-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.21
Rot. Bonds4

About azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone

azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 25282286) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
PubChem CID25282286
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameazocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCCCCCC1
InChIInChI=1S/C21H23N3O3/c25-21(24-11-4-2-1-3-5-12-24)19-14-27-20(23-19)15-26-17-8-9-18-16(13-17)7-6-10-22-18/h6-10,13-14H,1-5,11-12,15H2
InChIKeyWFKKUAKVKBBEKL-UHFFFAOYSA-N
XLogP4.21
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56722755
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
4-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-1,4-diazepan-2-one
CID 56747442
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42518962
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 176989691

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone (CID 25282286) is azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is WFKKUAKVKBBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(24-11-4-2-1-3-5-12-24)19-14-27-20(23-19)15-26-17-8-9-18-16(13-17)7-6-10-22-18/h6-10,13-14H,1-5,11-12,15H2.
What are the key properties of azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 25282286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).