2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C16H19NO2 — CID 66478066

IUPAC2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)Cc2nc3ccccc3o2)C1(C)C
InChIInChI=1S/C16H19NO2/c1-15(2)14(16(15,3)4)11(18)9-13-17-10-7-5-6-8-12(10)19-13/h5-8,14H,9H2,1-4H3
InChIKeyWFDPAAVUZWHIED-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 66478066) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID66478066
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC1(C)C(C(=O)Cc2nc3ccccc3o2)C1(C)C
InChIInChI=1S/C16H19NO2/c1-15(2)14(16(15,3)4)11(18)9-13-17-10-7-5-6-8-12(10)19-13/h5-8,14H,9H2,1-4H3
InChIKeyWFDPAAVUZWHIED-UHFFFAOYSA-N
XLogP3.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)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

2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
CID 62905162
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
CID 79757794
2-(1,3-benzoxazol-2-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825946
1-(1,3-benzoxazol-2-yl)-3-methylpentan-2-one
CID 43118363
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-one
CID 28934808
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
2-(1,3-benzoxazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethanol
CID 107003662
2-ethyl-1,3-benzoxazole
CID 23239
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 66478066) is 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is CC1(C)C(C(=O)Cc2nc3ccccc3o2)C1(C)C.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is WFDPAAVUZWHIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-15(2)14(16(15,3)4)11(18)9-13-17-10-7-5-6-8-12(10)19-13/h5-8,14H,9H2,1-4H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 257.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 66478066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).