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

C15H18ClN3O2 — CID 110294332

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)14-18-12(19-21-14)8-9-17-13(20)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyXLUOIVPNUWDDQX-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.99
Rot. Bonds4

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

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide (PubChem CID 110294332) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
PubChem CID110294332
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
SMILESCC(C)(C)c1nc(CCNC(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)14-18-12(19-21-14)8-9-17-13(20)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKeyXLUOIVPNUWDDQX-UHFFFAOYSA-N
XLogP2.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.99
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]-4-methoxybenzamide
CID 110294299
(E)-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-chlorophenyl)-2-methylprop-2-enamide
CID 110311130
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110311084
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
4-tert-butyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 51064630
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110632717
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]-2-(3,4-dichlorophenyl)-3-methylbutanamide
CID 110311155
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-(dimethylamino)pyridine-3-carboxamide
CID 110311138

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide (CID 110294332) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide is CC(C)(C)c1nc(CCNC(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide?
The InChIKey is XLUOIVPNUWDDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,3)14-18-12(19-21-14)8-9-17-13(20)10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide has a molecular weight of 307.78 g/mol, XLogP of 2.99, 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]-4-chlorobenzamide is sourced from PubChem (CID 110294332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).