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

C16H21N3O2 — CID 110368440

IUPAC3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nnc(C(C)C)o2)cc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)16-19-18-14(21-16)7-8-17-15(20)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)
InChIKeyQZPQFPXOTVTURF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.78
Rot. Bonds5

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

3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 110368440) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID110368440
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nnc(C(C)C)o2)cc1C
InChIInChI=1S/C16H21N3O2/c1-10(2)16-19-18-14(21-16)7-8-17-15(20)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8H2,1-4H3,(H,17,20)
InChIKeyQZPQFPXOTVTURF-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110368479
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
CID 110321629
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110368421
3-(dimethylsulfamoyl)-4-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368295
3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717499
2-(4-fluorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368446
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
2-(4-chlorophenoxy)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368452
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
CID 110320276
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 110368440) is 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2nnc(C(C)C)o2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is QZPQFPXOTVTURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)16-19-18-14(21-16)7-8-17-15(20)13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8H2,1-4H3,(H,17,20).
What are the key properties of 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110368440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).