1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one

C18H26N2O2 — CID 11150819

IUPAC1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1N=C(C(C)(C)C)OC1(C)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-16(2,3)14-19-20(15(21)17(4,5)6)18(7,22-14)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyCTMKSMDVLALBSM-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.12
Rot. Bonds1

About 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one

1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 11150819) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one
PubChem CID11150819
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1N=C(C(C)(C)C)OC1(C)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-16(2,3)14-19-20(15(21)17(4,5)6)18(7,22-14)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyCTMKSMDVLALBSM-UHFFFAOYSA-N
XLogP4.12
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one (CID 11150819) is 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1N=C(C(C)(C)C)OC1(C)c1ccccc1.
What is the InChIKey of 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CTMKSMDVLALBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-16(2,3)14-19-20(15(21)17(4,5)6)18(7,22-14)13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one?
1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 302.42 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methyl-2-phenyl-1,3,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 11150819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).