N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide

C19H21N3O4 — CID 70759067

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C19H21N3O4/c1-19(2,24)10-9-13-5-7-14(8-6-13)17(23)20-12-16-21-18(26-22-16)15-4-3-11-25-15/h3-8,11,24H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyZVTDXCHXQNTHPR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.96
Rot. Bonds7

About N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70759067) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70759067
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1
InChIInChI=1S/C19H21N3O4/c1-19(2,24)10-9-13-5-7-14(8-6-13)17(23)20-12-16-21-18(26-22-16)15-4-3-11-25-15/h3-8,11,24H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyZVTDXCHXQNTHPR-UHFFFAOYSA-N
XLogP2.96
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide (CID 70759067) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide is CC(C)(O)CCc1ccc(C(=O)NCc2noc(-c3ccco3)n2)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is ZVTDXCHXQNTHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(2,24)10-9-13-5-7-14(8-6-13)17(23)20-12-16-21-18(26-22-16)15-4-3-11-25-15/h3-8,11,24H,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70759067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).