N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide

C18H14N2O4 — CID 2815848

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1ccccc1
InChIInChI=1S/C18H14N2O4/c21-18(16-17(24-11-19-16)12-4-2-1-3-5-12)20-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10-11H,8-9H2,(H,20,21)
InChIKeyGNMZXCJJNFEOCB-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.37
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 2815848) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID2815848
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1ccccc1
InChIInChI=1S/C18H14N2O4/c21-18(16-17(24-11-19-16)12-4-2-1-3-5-12)20-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10-11H,8-9H2,(H,20,21)
InChIKeyGNMZXCJJNFEOCB-UHFFFAOYSA-N
XLogP3.37
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide (CID 2815848) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ncoc1-c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is GNMZXCJJNFEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-18(16-17(24-11-19-16)12-4-2-1-3-5-12)20-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10-11H,8-9H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2815848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).