2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one

C8H11NO2 — CID 24723618

IUPAC2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1ncco1
InChIInChI=1S/C8H11NO2/c1-8(2,3)6(10)7-9-4-5-11-7/h4-5H,1-3H3
InChIKeyFAOCFSRVXIICNE-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.90
Rot. Bonds1

About 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one

2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one (PubChem CID 24723618) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one
PubChem CID24723618
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1ncco1
InChIInChI=1S/C8H11NO2/c1-8(2,3)6(10)7-9-4-5-11-7/h4-5H,1-3H3
InChIKeyFAOCFSRVXIICNE-UHFFFAOYSA-N
XLogP1.90
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one (CID 24723618) is 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one is CC(C)(C)C(=O)c1ncco1.
What is the InChIKey of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one?
The InChIKey is FAOCFSRVXIICNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8(2,3)6(10)7-9-4-5-11-7/h4-5H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one?
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one has a molecular weight of 153.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 24723618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).