N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide

C24H30ClN3O2 — CID 24948362

IUPACN-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C24H30ClN3O2/c1-24(2,13-21-27-23(28-30-21)16-3-5-19(25)6-4-16)12-20(29)26-22-17-8-14-7-15(10-17)11-18(22)9-14/h3-6,14-15,17-18,22H,7-13H2,1-2H3,(H,26,29)
InChIKeyWGFUAYPZJSHCOV-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.29
Rot. Bonds6

About N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide

N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide (PubChem CID 24948362) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
PubChem CID24948362
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide
SMILESCC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C24H30ClN3O2/c1-24(2,13-21-27-23(28-30-21)16-3-5-19(25)6-4-16)12-20(29)26-22-17-8-14-7-15(10-17)11-18(22)9-14/h3-6,14-15,17-18,22H,7-13H2,1-2H3,(H,26,29)
InChIKeyWGFUAYPZJSHCOV-UHFFFAOYSA-N
XLogP5.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide (CID 24948362) is N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide is CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is WGFUAYPZJSHCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-24(2,13-21-27-23(28-30-21)16-3-5-19(25)6-4-16)12-20(29)26-22-17-8-14-7-15(10-17)11-18(22)9-14/h3-6,14-15,17-18,22H,7-13H2,1-2H3,(H,26,29).
What are the key properties of N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide?
N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 427.98 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 24948362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).