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

C21H23N3O2 — CID 26022369

IUPACN-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCCC(C)C)cc2)o1
InChIInChI=1S/C21H23N3O2/c1-14(2)12-13-22-19(25)16-8-10-17(11-9-16)20-23-24-21(26-20)18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyXDZLFLMUXKKGGV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.49
Rot. Bonds6

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

N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 26022369) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID26022369
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)NCCC(C)C)cc2)o1
InChIInChI=1S/C21H23N3O2/c1-14(2)12-13-22-19(25)16-8-10-17(11-9-16)20-23-24-21(26-20)18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyXDZLFLMUXKKGGV-UHFFFAOYSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605
N-(3-ethoxypropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 17493586
N-(3-indol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24607685
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558457
N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 51328577
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55753809
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 37397820
N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42934242
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24607379

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 26022369) is N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCC(C)C)cc2)o1.
What is the InChIKey of N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is XDZLFLMUXKKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)12-13-22-19(25)16-8-10-17(11-9-16)20-23-24-21(26-20)18-7-5-4-6-15(18)3/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 26022369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).