ethane;5-methyl-1,2-oxazole;phenol

C14H23NO2 — CID 91022926

IUPACethane;5-methyl-1,2-oxazole;phenol
SMILESCC.CC.Cc1ccno1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H5NO.2C2H6/c7-6-4-2-1-3-5-6;1-4-2-3-5-6-4;2*1-2/h1-5,7H;2-3H,1H3;2*1-2H3
InChIKeyHLACPEKBMUIIBZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP4.43
Rot. Bonds

About ethane;5-methyl-1,2-oxazole;phenol

ethane;5-methyl-1,2-oxazole;phenol (PubChem CID 91022926) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;5-methyl-1,2-oxazole;phenol.

Molecular Properties

Compound Nameethane;5-methyl-1,2-oxazole;phenol
PubChem CID91022926
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;5-methyl-1,2-oxazole;phenol
SMILESCC.CC.Cc1ccno1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H5NO.2C2H6/c7-6-4-2-1-3-5-6;1-4-2-3-5-6-4;2*1-2/h1-5,7H;2-3H,1H3;2*1-2H3
InChIKeyHLACPEKBMUIIBZ-UHFFFAOYSA-N
XLogP4.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2-oxazole;phenol?
The IUPAC name of ethane;5-methyl-1,2-oxazole;phenol (CID 91022926) is ethane;5-methyl-1,2-oxazole;phenol.
What is the SMILES notation for ethane;5-methyl-1,2-oxazole;phenol?
The canonical SMILES for ethane;5-methyl-1,2-oxazole;phenol is CC.CC.Cc1ccno1.Oc1ccccc1.
What is the InChIKey of ethane;5-methyl-1,2-oxazole;phenol?
The InChIKey is HLACPEKBMUIIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H5NO.2C2H6/c7-6-4-2-1-3-5-6;1-4-2-3-5-6-4;2*1-2/h1-5,7H;2-3H,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-1,2-oxazole;phenol?
ethane;5-methyl-1,2-oxazole;phenol has a molecular weight of 237.34 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2-oxazole;phenol is sourced from PubChem (CID 91022926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).