N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C23H17N3O4 — CID 50764346

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H17N3O4/c27-22(24-13-15-10-11-19-20(12-15)29-14-28-19)17-8-4-5-9-18(17)23-25-21(26-30-23)16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,27)
InChIKeyYNKXCUQZKYVHEX-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.06
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 50764346) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID50764346
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H17N3O4/c27-22(24-13-15-10-11-19-20(12-15)29-14-28-19)17-8-4-5-9-18(17)23-25-21(26-30-23)16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,27)
InChIKeyYNKXCUQZKYVHEX-UHFFFAOYSA-N
XLogP4.06
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 9452573
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53156209
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 50828708
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 1345651
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271776
3-(1,3-benzodioxol-5-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 53277941
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501362
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-2-(hydroxymethyl)benzene-1,4-dicarboxamide
CID 101221566
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047465

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 50764346) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is YNKXCUQZKYVHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-22(24-13-15-10-11-19-20(12-15)29-14-28-19)17-8-4-5-9-18(17)23-25-21(26-30-23)16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 399.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 50764346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).