4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide

C19H22N4O3 — CID 51121709

IUPAC4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C19H22N4O3/c1-4-19(2,3)22-18(24)13-7-9-14(10-8-13)20-12-16-21-17(23-26-16)15-6-5-11-25-15/h5-11,20H,4,12H2,1-3H3,(H,22,24)
InChIKeyVGKOXOPFKZCVIG-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.86
Rot. Bonds7

About 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide

4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 51121709) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID51121709
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1
InChIInChI=1S/C19H22N4O3/c1-4-19(2,3)22-18(24)13-7-9-14(10-8-13)20-12-16-21-17(23-26-16)15-6-5-11-25-15/h5-11,20H,4,12H2,1-3H3,(H,22,24)
InChIKeyVGKOXOPFKZCVIG-UHFFFAOYSA-N
XLogP3.86
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 47153889
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
4-(difluoromethoxy)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 34067149
N-(2-methylbutan-2-yl)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55892217
2-chloro-N-(2-methylbutan-2-yl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539230
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62822562
propyl 4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 36801497
N-(4-ethylphenyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 36705195
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2,2-dimethylpropanoic acid
CID 119249678
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167549
1-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]phenyl]butan-1-one
CID 68721708
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 90563328

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide (CID 51121709) is 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1.
What is the InChIKey of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is VGKOXOPFKZCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-19(2,3)22-18(24)13-7-9-14(10-8-13)20-12-16-21-17(23-26-16)15-6-5-11-25-15/h5-11,20H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide?
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 51121709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).