4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole

C19H17NO5 — CID 58178117

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2oncc2-c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C19H17NO5/c1-21-15-5-4-13(10-17(15)22-2)19-14(11-20-25-19)12-3-6-16-18(9-12)24-8-7-23-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyAYMCLNFBPGDCLP-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.80
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole (PubChem CID 58178117) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole
PubChem CID58178117
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2oncc2-c2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C19H17NO5/c1-21-15-5-4-13(10-17(15)22-2)19-14(11-20-25-19)12-3-6-16-18(9-12)24-8-7-23-16/h3-6,9-11H,7-8H2,1-2H3
InChIKeyAYMCLNFBPGDCLP-UHFFFAOYSA-N
XLogP3.80
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole (CID 58178117) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2oncc2-c2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole?
The InChIKey is AYMCLNFBPGDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-21-15-5-4-13(10-17(15)22-2)19-14(11-20-25-19)12-3-6-16-18(9-12)24-8-7-23-16/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole has a molecular weight of 339.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).