cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone

C8H9NO2 — CID 83681907

IUPACcyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)C2CC2)no1
InChIInChI=1S/C8H9NO2/c1-5-4-7(9-11-5)8(10)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeySNYHUKBZBOLMDC-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.58
Rot. Bonds2

About cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone

cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 83681907) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID83681907
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namecyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)C2CC2)no1
InChIInChI=1S/C8H9NO2/c1-5-4-7(9-11-5)8(10)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeySNYHUKBZBOLMDC-UHFFFAOYSA-N
XLogP1.58
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone (CID 83681907) is cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)C2CC2)no1.
What is the InChIKey of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is SNYHUKBZBOLMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-4-7(9-11-5)8(10)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone?
cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 151.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 83681907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).