[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

C18H16N2O5S — CID 45497865

IUPAC[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)s1
InChIInChI=1S/C18H16N2O5S/c1-10-17(26-11(2)19-10)18(21)24-9-13-8-15(25-20-13)12-3-4-14-16(7-12)23-6-5-22-14/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyFOXJPOKSJSOAGR-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.54
Rot. Bonds4

About [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 45497865) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID45497865
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)s1
InChIInChI=1S/C18H16N2O5S/c1-10-17(26-11(2)19-10)18(21)24-9-13-8-15(25-20-13)12-3-4-14-16(7-12)23-6-5-22-14/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyFOXJPOKSJSOAGR-UHFFFAOYSA-N
XLogP3.54
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 45497865) is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCc2cc(-c3ccc4c(c3)OCCO4)on2)s1.
What is the InChIKey of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FOXJPOKSJSOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-10-17(26-11(2)19-10)18(21)24-9-13-8-15(25-20-13)12-3-4-14-16(7-12)23-6-5-22-14/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 45497865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).