(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol

C15H13NO2S — CID 44574368

IUPAC(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol
SMILESCSc1nc(C(O)c2ccc3ccccc3c2)co1
InChIInChI=1S/C15H13NO2S/c1-19-15-16-13(9-18-15)14(17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14,17H,1H3
InChIKeyXXWPTNDGMKPMNW-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.63
Rot. Bonds3

About (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol

(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol (PubChem CID 44574368) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol
PubChem CID44574368
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol
SMILESCSc1nc(C(O)c2ccc3ccccc3c2)co1
InChIInChI=1S/C15H13NO2S/c1-19-15-16-13(9-18-15)14(17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14,17H,1H3
InChIKeyXXWPTNDGMKPMNW-UHFFFAOYSA-N
XLogP3.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalen-2-yl(1,3-oxazol-4-yl)methanol
CID 44574371
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
CID 115792773
naphthalen-2-ylmethanediol
CID 22496827
anthracen-2-yl(phenyl)methanol
CID 15685338
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
(2-fluoro-4-methylphenyl)-naphthalen-2-ylmethanol
CID 115792718
(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
CID 114329794
(1S)-1-naphthalen-2-yl-3-trimethylsilylprop-2-yn-1-ol
CID 24851555
amino(naphthalen-2-yl)methanol
CID 57110079
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
(3-methylimidazol-4-yl)-naphthalen-2-ylmethanol
CID 66116281
(1,2-dinaphthalen-2-yl-2-trimethylsilyloxyethoxy)-trimethylsilane
CID 10575884

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol?
The IUPAC name of (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol (CID 44574368) is (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol?
The canonical SMILES for (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol is CSc1nc(C(O)c2ccc3ccccc3c2)co1.
What is the InChIKey of (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol?
The InChIKey is XXWPTNDGMKPMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-19-15-16-13(9-18-15)14(17)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,14,17H,1H3.
What are the key properties of (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol?
(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol has a molecular weight of 271.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 44574368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).