4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol

C18H17NO4 — CID 136602125

IUPAC4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
SMILESCOc1ccc(-c2c(-c3cc(C)c(O)cc3O)noc2C)cc1
InChIInChI=1S/C18H17NO4/c1-10-8-14(16(21)9-15(10)20)18-17(11(2)23-19-18)12-4-6-13(22-3)7-5-12/h4-9,20-21H,1-3H3
InChIKeyIMKNUMSZSVCVEE-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.05
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol

4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol (PubChem CID 136602125) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
PubChem CID136602125
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol
SMILESCOc1ccc(-c2c(-c3cc(C)c(O)cc3O)noc2C)cc1
InChIInChI=1S/C18H17NO4/c1-10-8-14(16(21)9-15(10)20)18-17(11(2)23-19-18)12-4-6-13(22-3)7-5-12/h4-9,20-21H,1-3H3
InChIKeyIMKNUMSZSVCVEE-UHFFFAOYSA-N
XLogP4.05
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol (CID 136602125) is 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol is COc1ccc(-c2c(-c3cc(C)c(O)cc3O)noc2C)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol?
The InChIKey is IMKNUMSZSVCVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-10-8-14(16(21)9-15(10)20)18-17(11(2)23-19-18)12-4-6-13(22-3)7-5-12/h4-9,20-21H,1-3H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol?
4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol has a molecular weight of 311.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 136602125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).