N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

C24H18N2O4 — CID 9452573

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H18N2O4/c27-23(25-13-16-10-11-20-21(12-16)29-15-28-20)18-8-4-5-9-19(18)24-26-14-22(30-24)17-6-2-1-3-7-17/h1-12,14H,13,15H2,(H,25,27)
InChIKeyFZDYYYKJLKJUSM-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.67
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 9452573) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID9452573
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C24H18N2O4/c27-23(25-13-16-10-11-20-21(12-16)29-15-28-20)18-8-4-5-9-19(18)24-26-14-22(30-24)17-6-2-1-3-7-17/h1-12,14H,13,15H2,(H,25,27)
InChIKeyFZDYYYKJLKJUSM-UHFFFAOYSA-N
XLogP4.67
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501362
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764346
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 1345651
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093365
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 42673393
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18077783

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 9452573) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is FZDYYYKJLKJUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-23(25-13-16-10-11-20-21(12-16)29-15-28-20)18-8-4-5-9-19(18)24-26-14-22(30-24)17-6-2-1-3-7-17/h1-12,14H,13,15H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 398.42 g/mol, XLogP of 4.67, 5 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-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 9452573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).