N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide

C19H19N3O5 — CID 91635492

IUPACN-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
SMILESCCC(C)C(NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C19H19N3O5/c1-3-11(2)16(20-18(23)14-5-4-8-24-14)19-21-17(22-27-19)12-6-7-13-15(9-12)26-10-25-13/h4-9,11,16H,3,10H2,1-2H3,(H,20,23)
InChIKeyVYVFZINJNDFBSU-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.58
Rot. Bonds6

About N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide

N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide (PubChem CID 91635492) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
PubChem CID91635492
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
SMILESCCC(C)C(NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C19H19N3O5/c1-3-11(2)16(20-18(23)14-5-4-8-24-14)19-21-17(22-27-19)12-6-7-13-15(9-12)26-10-25-13/h4-9,11,16H,3,10H2,1-2H3,(H,20,23)
InChIKeyVYVFZINJNDFBSU-UHFFFAOYSA-N
XLogP3.58
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2S)-2-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 98370359
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 83281006
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83277387
(2S)-1-[[(1R,2S)-1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93181587
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
1-[[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46015564
N-[(1S)-1-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 93140344
N-[(1S)-2-methyl-1-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 95083510
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-3-phenylprop-2-enamide
CID 171136426
N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 95094183

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide (CID 91635492) is N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide is CCC(C)C(NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)OCO3)no1.
What is the InChIKey of N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide?
The InChIKey is VYVFZINJNDFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-11(2)16(20-18(23)14-5-4-8-24-14)19-21-17(22-27-19)12-6-7-13-15(9-12)26-10-25-13/h4-9,11,16H,3,10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide?
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide is sourced from PubChem (CID 91635492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).