[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone

C18H17N3O3S — CID 42197710

IUPAC[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCSCC1
InChIInChI=1S/C18H17N3O3S/c22-18(21-6-8-25-9-7-21)16-11-24-17(20-16)12-23-14-3-4-15-13(10-14)2-1-5-19-15/h1-5,10-11H,6-9,12H2
InChIKeyUBUYBOLNUWKUEO-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.99
Rot. Bonds4

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

[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 42197710) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID42197710
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCSCC1
InChIInChI=1S/C18H17N3O3S/c22-18(21-6-8-25-9-7-21)16-11-24-17(20-16)12-23-14-3-4-15-13(10-14)2-1-5-19-15/h1-5,10-11H,6-9,12H2
InChIKeyUBUYBOLNUWKUEO-UHFFFAOYSA-N
XLogP2.99
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
(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
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxymethyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 176989691
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42518962
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 56710779
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56713168
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 42508957
[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 56757571

Frequently Asked Questions

What is the IUPAC name of [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone (CID 42197710) is [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone is O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCSCC1.
What is the InChIKey of [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is UBUYBOLNUWKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-18(21-6-8-25-9-7-21)16-11-24-17(20-16)12-23-14-3-4-15-13(10-14)2-1-5-19-15/h1-5,10-11H,6-9,12H2.
What are the key properties of [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 355.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 42197710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).