N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

C18H15N3O6 — CID 40959645

IUPACN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C18H15N3O6/c1-23-12-5-11(6-13(8-12)24-2)17-20-21-18(27-17)19-16(22)10-3-4-14-15(7-10)26-9-25-14/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyXFUPAFFRFYVGCF-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.73
Rot. Bonds5

About N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 40959645) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID40959645
Molecular FormulaC18H15N3O6
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C18H15N3O6/c1-23-12-5-11(6-13(8-12)24-2)17-20-21-18(27-17)19-16(22)10-3-4-14-15(7-10)26-9-25-14/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyXFUPAFFRFYVGCF-UHFFFAOYSA-N
XLogP2.73
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5240164
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959643
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959775
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 3251865
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 43977817
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 4319364
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 45283573
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 42477526
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16854742
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CID 40959645) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)o2)c1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XFUPAFFRFYVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-23-12-5-11(6-13(8-12)24-2)17-20-21-18(27-17)19-16(22)10-3-4-14-15(7-10)26-9-25-14/h3-8H,9H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 369.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 40959645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).