2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one

C14H16N2O2 — CID 166941890

IUPAC2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one
SMILESCCC(C)(C)C(=O)c1noc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-4-14(2,3)11(17)12-15-13(18-16-12)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyMCGNPYASIRLLQS-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.36
Rot. Bonds4

About 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one

2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one (PubChem CID 166941890) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one
PubChem CID166941890
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one
SMILESCCC(C)(C)C(=O)c1noc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-4-14(2,3)11(17)12-15-13(18-16-12)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyMCGNPYASIRLLQS-UHFFFAOYSA-N
XLogP3.36
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-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

Related Compounds

2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
5-phenyl-1,2,4-oxadiazole-3-carbothioamide
CID 130016702
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
5-(4-butoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63448625
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-phenylmethanone
CID 154721844
2-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 71279247
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
ethyl 5-pyridin-4-yl-1,2,4-oxadiazole-3-carboxylate
CID 19959194

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one (CID 166941890) is 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one is CCC(C)(C)C(=O)c1noc(-c2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one?
The InChIKey is MCGNPYASIRLLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-14(2,3)11(17)12-15-13(18-16-12)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one?
2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one has a molecular weight of 244.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-one is sourced from PubChem (CID 166941890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).