N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

C19H19N3O2 — CID 9075639

IUPACN-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-3-4-14-5-11-17(12-6-14)21-18(23)15-7-9-16(10-8-15)19-22-20-13-24-19/h5-13H,2-4H2,1H3,(H,21,23)
InChIKeyJDYZJFMBQFVENX-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.33
Rot. Bonds6

About N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide

N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 9075639) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID9075639
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-2-3-4-14-5-11-17(12-6-14)21-18(23)15-7-9-16(10-8-15)19-22-20-13-24-19/h5-13H,2-4H2,1H3,(H,21,23)
InChIKeyJDYZJFMBQFVENX-UHFFFAOYSA-N
XLogP4.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 51090180
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
2-[4-[4-[(4-butylbenzoyl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68964971
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
3-(methylsulfinylmethyl)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 75526163
N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
CID 72568774
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
N-(4-butylphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 9075685

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 9075639) is N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is CCCCc1ccc(NC(=O)c2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is JDYZJFMBQFVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-3-4-14-5-11-17(12-6-14)21-18(23)15-7-9-16(10-8-15)19-22-20-13-24-19/h5-13H,2-4H2,1H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 9075639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).