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

C21H23N3O2 — CID 11078601

IUPACN-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)13-14-22-19(25)16-9-11-17(12-10-16)20-23-18(24-26-20)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyBVYBDBBNQKYRTJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.57
Rot. Bonds5

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

N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 11078601) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID11078601
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)13-14-22-19(25)16-9-11-17(12-10-16)20-23-18(24-26-20)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyBVYBDBBNQKYRTJ-UHFFFAOYSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 11078601) is N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is CC(C)(C)CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is BVYBDBBNQKYRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)13-14-22-19(25)16-9-11-17(12-10-16)20-23-18(24-26-20)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 11078601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).