N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide

C16H21N3O2 — CID 110294288

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCc1noc(C(C)(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-11-7-5-6-8-12(11)14(20)17-10-9-13-18-15(21-19-13)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyLYEIRFBELXQBJB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide (PubChem CID 110294288) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
PubChem CID110294288
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCc1noc(C(C)(C)C)n1
InChIInChI=1S/C16H21N3O2/c1-11-7-5-6-8-12(11)14(20)17-10-9-13-18-15(21-19-13)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyLYEIRFBELXQBJB-UHFFFAOYSA-N
XLogP2.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110311138
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299
3-tert-butyl-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110632715
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110632729
2-(1-methylimidazol-2-yl)-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 119071610
2-(4-bromobenzoyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 86974159
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110311153
1-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]indole-3-carboxamide
CID 90648306

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide (CID 110294288) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCc1noc(C(C)(C)C)n1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide?
The InChIKey is LYEIRFBELXQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-5-6-8-12(11)14(20)17-10-9-13-18-15(21-19-13)16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 110294288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).