ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol

C8H15NO3 — CID 145060390

IUPACethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol
SMILESCC.Cc1ncoc1C(C)(O)O
InChIInChI=1S/C6H9NO3.C2H6/c1-4-5(6(2,8)9)10-3-7-4;1-2/h3,8-9H,1-2H3;1-2H3
InChIKeyVRZFYLJAJFMJCB-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.17
Rot. Bonds1

About ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol

ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol (PubChem CID 145060390) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol.

Molecular Properties

Compound Nameethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol
PubChem CID145060390
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol
SMILESCC.Cc1ncoc1C(C)(O)O
InChIInChI=1S/C6H9NO3.C2H6/c1-4-5(6(2,8)9)10-3-7-4;1-2/h3,8-9H,1-2H3;1-2H3
InChIKeyVRZFYLJAJFMJCB-UHFFFAOYSA-N
XLogP1.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol?
The IUPAC name of ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol (CID 145060390) is ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol.
What is the SMILES notation for ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol?
The canonical SMILES for ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol is CC.Cc1ncoc1C(C)(O)O.
What is the InChIKey of ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol?
The InChIKey is VRZFYLJAJFMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.C2H6/c1-4-5(6(2,8)9)10-3-7-4;1-2/h3,8-9H,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol?
ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol has a molecular weight of 173.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methyl-1,3-oxazol-5-yl)ethane-1,1-diol is sourced from PubChem (CID 145060390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).