3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C19H19N3O2 — CID 92686300

IUPAC3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)c1
InChIInChI=1S/C19H19N3O2/c1-12(2)14-7-9-15(10-8-14)18-21-22-19(24-18)20-17(23)16-6-4-5-13(3)11-16/h4-12H,1-3H3,(H,20,22,23)
InChIKeyRBKOIZTWWVZMIL-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.42
Rot. Bonds4

About 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 92686300) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID92686300
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)c1
InChIInChI=1S/C19H19N3O2/c1-12(2)14-7-9-15(10-8-14)18-21-22-19(24-18)20-17(23)16-6-4-5-13(3)11-16/h4-12H,1-3H3,(H,20,22,23)
InChIKeyRBKOIZTWWVZMIL-UHFFFAOYSA-N
XLogP4.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16854742
N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 10524731
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 92686300) is 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)o2)c1.
What is the InChIKey of 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is RBKOIZTWWVZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)14-7-9-15(10-8-14)18-21-22-19(24-18)20-17(23)16-6-4-5-13(3)11-16/h4-12H,1-3H3,(H,20,22,23).
What are the key properties of 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 92686300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).