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

C16H23ClN4O2 — CID 120638330

IUPAC5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(C)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-9-6-7-11(17)8-12(9)13(21)18-10(2)14-19-15(20-22-14)16(3,4)5;/h6-8,10H,17H2,1-5H3,(H,18,21);1H
InChIKeyMNMOEYJSKCVJOV-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.17
Rot. Bonds3

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

5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride (PubChem CID 120638330) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
PubChem CID120638330
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(C)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-9-6-7-11(17)8-12(9)13(21)18-10(2)14-19-15(20-22-14)16(3,4)5;/h6-8,10H,17H2,1-5H3,(H,18,21);1H
InChIKeyMNMOEYJSKCVJOV-UHFFFAOYSA-N
XLogP3.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride (CID 120638330) is 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC(C)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride?
The InChIKey is MNMOEYJSKCVJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-9-6-7-11(17)8-12(9)13(21)18-10(2)14-19-15(20-22-14)16(3,4)5;/h6-8,10H,17H2,1-5H3,(H,18,21);1H.
What are the key properties of 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120638330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).