N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C22H16N2O4 — CID 645520

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H16N2O4/c25-21(15-6-8-19-20(12-15)27-11-10-26-19)23-16-7-9-18-17(13-16)24-22(28-18)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,25)
InChIKeyTUAZKZJQTGCWHD-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.52
Rot. Bonds3

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

N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 645520) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID645520
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H16N2O4/c25-21(15-6-8-19-20(12-15)27-11-10-26-19)23-16-7-9-18-17(13-16)24-22(28-18)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,25)
InChIKeyTUAZKZJQTGCWHD-UHFFFAOYSA-N
XLogP4.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 645520) is N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is TUAZKZJQTGCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-21(15-6-8-19-20(12-15)27-11-10-26-19)23-16-7-9-18-17(13-16)24-22(28-18)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,25).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 645520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).