N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide

C21H14N2O4 — CID 9191614

IUPACN-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14N2O4/c24-21(22-15-7-9-18-19(11-15)26-12-25-18)14-6-8-17-16(10-14)20(27-23-17)13-4-2-1-3-5-13/h1-11H,12H2,(H,22,24)
InChIKeyKAWIVHCIUXJLMR-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.48
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 9191614) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID9191614
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H14N2O4/c24-21(22-15-7-9-18-19(11-15)26-12-25-18)14-6-8-17-16(10-14)20(27-23-17)13-4-2-1-3-5-13/h1-11H,12H2,(H,22,24)
InChIKeyKAWIVHCIUXJLMR-UHFFFAOYSA-N
XLogP4.48
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9451735
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830
N-(3-cyanophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9192548
N-(3-fluorophenyl)-3-(4-fluorophenyl)-2,1-benzoxazole-5-carboxamide
CID 46350561
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9268843
N-(4-ethoxy-2-phenylquinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 53113418
N-[4-(dimethylamino)-2-methylphenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71895533
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51087247

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 9191614) is N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is KAWIVHCIUXJLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-21(22-15-7-9-18-19(11-15)26-12-25-18)14-6-8-17-16(10-14)20(27-23-17)13-4-2-1-3-5-13/h1-11H,12H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 9191614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).