[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol

C15H14N2O2S — CID 106926972

IUPAC[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
SMILESCc1nc(Sc2nc3ccccc3cc2CO)oc1C
InChIInChI=1S/C15H14N2O2S/c1-9-10(2)19-15(16-9)20-14-12(8-18)7-11-5-3-4-6-13(11)17-14/h3-7,18H,8H2,1-2H3
InChIKeyNCJHAUGKSPNOML-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.48
Rot. Bonds3

About [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol

[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol (PubChem CID 106926972) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
PubChem CID106926972
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
SMILESCc1nc(Sc2nc3ccccc3cc2CO)oc1C
InChIInChI=1S/C15H14N2O2S/c1-9-10(2)19-15(16-9)20-14-12(8-18)7-11-5-3-4-6-13(11)17-14/h3-7,18H,8H2,1-2H3
InChIKeyNCJHAUGKSPNOML-UHFFFAOYSA-N
XLogP3.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol with MolForge

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Related Compounds

[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 63836117
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926902
(2-methylsulfanylquinolin-3-yl)methanol
CID 63835189
[2-(2-chlorophenyl)sulfanylquinolin-3-yl]methanol
CID 63814729
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 63809665
3-[3-(hydroxymethyl)quinolin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835072
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
CID 107783184
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 106922446
[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
CID 63835635
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
[2-(4,6-dimethylpyrimidin-2-yl)sulfanylquinolin-3-yl]methanamine
CID 63808788

Frequently Asked Questions

What is the IUPAC name of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
The IUPAC name of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol (CID 106926972) is [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol is Cc1nc(Sc2nc3ccccc3cc2CO)oc1C.
What is the InChIKey of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
The InChIKey is NCJHAUGKSPNOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9-10(2)19-15(16-9)20-14-12(8-18)7-11-5-3-4-6-13(11)17-14/h3-7,18H,8H2,1-2H3.
What are the key properties of [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol has a molecular weight of 286.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol is sourced from PubChem (CID 106926972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).