4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol

C18H15NO5 — CID 928772

IUPAC4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
SMILESCc1noc(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15NO5/c1-10-17(11-2-5-15-16(8-11)23-7-6-22-15)18(24-19-10)13-4-3-12(20)9-14(13)21/h2-5,8-9,20-21H,6-7H2,1H3
InChIKeyJUVYRYASMYFMMX-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.50
Rot. Bonds2

About 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol

4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol (PubChem CID 928772) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
PubChem CID928772
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
SMILESCc1noc(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15NO5/c1-10-17(11-2-5-15-16(8-11)23-7-6-22-15)18(24-19-10)13-4-3-12(20)9-14(13)21/h2-5,8-9,20-21H,6-7H2,1H3
InChIKeyJUVYRYASMYFMMX-UHFFFAOYSA-N
XLogP3.50
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol with MolForge

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Related Compounds

2-[(1S)-5-{3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776382
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
3-(5-Methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 76324945
5-(5-Methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 76328509
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91973763
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-5-isoxazolecarboxylic acid
CID 145916476
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 727517
2-[4-Benzo[d]furan-2-yl-3-(trifluoromethyl)isoxazol-5-yl]-5-methoxyphenol
CID 1183154
3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-propoxy]-phenyl}-propionic acid
CID 17894227
2-(4-(3-(3-Phenyl-7-propylbenzo[d]isoxazol-6-yloxy)propoxy)phenyl)acetic acid
CID 18702001
[4-[(E)-2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]ethenyl]phenyl] acetate
CID 24761318

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol (CID 928772) is 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol is Cc1noc(-c2ccc(O)cc2O)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
The InChIKey is JUVYRYASMYFMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-10-17(11-2-5-15-16(8-11)23-7-6-22-15)18(24-19-10)13-4-3-12(20)9-14(13)21/h2-5,8-9,20-21H,6-7H2,1H3.
What are the key properties of 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol?
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol has a molecular weight of 325.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 928772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).