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

C19H19N3O2 — CID 50778928

IUPAC3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)no1
InChIInChI=1S/C19H19N3O2/c1-12(2)14-7-9-17(10-8-14)21-19(23)16-6-4-5-15(11-16)18-20-13(3)24-22-18/h4-12H,1-3H3,(H,21,23)
InChIKeyKJCZTASVRQPYIK-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.42
Rot. Bonds4

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

3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 50778928) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
PubChem CID50778928
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1nc(-c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)no1
InChIInChI=1S/C19H19N3O2/c1-12(2)14-7-9-17(10-8-14)21-19(23)16-6-4-5-15(11-16)18-20-13(3)24-22-18/h4-12H,1-3H3,(H,21,23)
InChIKeyKJCZTASVRQPYIK-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

N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321552
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(4-propan-2-ylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108719

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide (CID 50778928) is 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide is Cc1nc(-c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)no1.
What is the InChIKey of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is KJCZTASVRQPYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)14-7-9-17(10-8-14)21-19(23)16-6-4-5-15(11-16)18-20-13(3)24-22-18/h4-12H,1-3H3,(H,21,23).
What are the key properties of 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide?
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)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-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 50778928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).