1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone

C12H17NO2 — CID 161078279

IUPAC1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
SMILESCC(=O)C12CC(C3=NC(C)(C)CO3)(C1)C2
InChIInChI=1S/C12H17NO2/c1-8(14)11-4-12(5-11,6-11)9-13-10(2,3)7-15-9/h4-7H2,1-3H3
InChIKeyANRAASCGMYYZLT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.95
Rot. Bonds2

About 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone

1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone (PubChem CID 161078279) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone.

Molecular Properties

Compound Name1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
PubChem CID161078279
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
SMILESCC(=O)C12CC(C3=NC(C)(C)CO3)(C1)C2
InChIInChI=1S/C12H17NO2/c1-8(14)11-4-12(5-11,6-11)9-13-10(2,3)7-15-9/h4-7H2,1-3H3
InChIKeyANRAASCGMYYZLT-UHFFFAOYSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone 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

4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
CID 143195353
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 11159413
1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-methyl-9H-phenanthren-9-yl]ethanone
CID 11823807
2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
CID 71426920
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]ethanone
CID 158320938
2-[(2R,3R)-2,3-dimethyl-3-propyloxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101212518
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
2-[(1R,3R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-3-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)cyclopropyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 101234030
4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole
CID 13268818
1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,2-bis(4-fluorophenyl)ethanone
CID 11244366
7-acetyladamantane-1,3,5-tricarboxylic acid
CID 18323311
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
The IUPAC name of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone (CID 161078279) is 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone.
What is the SMILES notation for 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
The canonical SMILES for 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone is CC(=O)C12CC(C3=NC(C)(C)CO3)(C1)C2.
What is the InChIKey of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
The InChIKey is ANRAASCGMYYZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(14)11-4-12(5-11,6-11)9-13-10(2,3)7-15-9/h4-7H2,1-3H3.
What are the key properties of 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone?
1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-bicyclo[1.1.1]pentanyl]ethanone is sourced from PubChem (CID 161078279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).