4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide

C21H23N3O2 — CID 17495617

IUPAC4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-4-18(5-2)22-19(25)15-10-12-17(13-11-15)21-24-23-20(26-21)16-8-6-14(3)7-9-16/h6-13,18H,4-5H2,1-3H3,(H,22,25)
InChIKeyZNUTVHQEWKRTPL-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.63
Rot. Bonds6

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

4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide (PubChem CID 17495617) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
PubChem CID17495617
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-4-18(5-2)22-19(25)15-10-12-17(13-11-15)21-24-23-20(26-21)16-8-6-14(3)7-9-16/h6-13,18H,4-5H2,1-3H3,(H,22,25)
InChIKeyZNUTVHQEWKRTPL-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030230
N-[(S)-dimethoxyphosphoryl-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylbenzamide
CID 34116829
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[1-(4-methoxyphenyl)propyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24606756
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 78820801
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pentan-3-ylbenzamide
CID 43332996

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide?
The IUPAC name of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide (CID 17495617) is 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide?
The InChIKey is ZNUTVHQEWKRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-18(5-2)22-19(25)15-10-12-17(13-11-15)21-24-23-20(26-21)16-8-6-14(3)7-9-16/h6-13,18H,4-5H2,1-3H3,(H,22,25).
What are the key properties of 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide?
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 17495617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).