3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol

C15H13NO2S2 — CID 104590545

IUPAC3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
SMILESCc1oc(-c2cccs2)nc1CSc1cccc(O)c1
InChIInChI=1S/C15H13NO2S2/c1-10-13(9-20-12-5-2-4-11(17)8-12)16-15(18-10)14-6-3-7-19-14/h2-8,17H,9H2,1H3
InChIKeyCWJRQCOQAIWEPY-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.71
Rot. Bonds4

About 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol

3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol (PubChem CID 104590545) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
PubChem CID104590545
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
SMILESCc1oc(-c2cccs2)nc1CSc1cccc(O)c1
InChIInChI=1S/C15H13NO2S2/c1-10-13(9-20-12-5-2-4-11(17)8-12)16-15(18-10)14-6-3-7-19-14/h2-8,17H,9H2,1H3
InChIKeyCWJRQCOQAIWEPY-UHFFFAOYSA-N
XLogP4.71
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 31903440
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590345
4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 18168214
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 64916269
4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 158381591
3-(3,4-dimethoxyphenyl)-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 18268005
(2R)-2-amino-3-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butanoic acid
CID 106442416
3-ethyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35216898

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol (CID 104590545) is 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol is Cc1oc(-c2cccs2)nc1CSc1cccc(O)c1.
What is the InChIKey of 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol?
The InChIKey is CWJRQCOQAIWEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-10-13(9-20-12-5-2-4-11(17)8-12)16-15(18-10)14-6-3-7-19-14/h2-8,17H,9H2,1H3.
What are the key properties of 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol?
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol has a molecular weight of 303.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).