4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol

C11H11NO3 — CID 138961435

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
SMILESCc1noc(C)c1-c1ccc(O)c(O)c1
InChIInChI=1S/C11H11NO3/c1-6-11(7(2)15-12-6)8-3-4-9(13)10(14)5-8/h3-5,13-14H,1-2H3
InChIKeyCBQJBOWVEZDUKZ-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.37
Rot. Bonds1

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol

4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol (PubChem CID 138961435) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
PubChem CID138961435
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
SMILESCc1noc(C)c1-c1ccc(O)c(O)c1
InChIInChI=1S/C11H11NO3/c1-6-11(7(2)15-12-6)8-3-4-9(13)10(14)5-8/h3-5,13-14H,1-2H3
InChIKeyCBQJBOWVEZDUKZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
7-(3,5-dimethyl-1,2-oxazol-4-yl)naphthalen-1-ol
CID 155969514
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
CID 140959618
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2-carboxamide
CID 175898277

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol (CID 138961435) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol is Cc1noc(C)c1-c1ccc(O)c(O)c1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol?
The InChIKey is CBQJBOWVEZDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-11(7(2)15-12-6)8-3-4-9(13)10(14)5-8/h3-5,13-14H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol?
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol has a molecular weight of 205.21 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 138961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).