1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol

C17H15N3O2 — CID 142479515

IUPAC1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cc(C#Cc2ccccc2)on1
InChIInChI=1S/C17H15N3O2/c1-13(21)17-18-9-10-20(17)12-15-11-16(22-19-15)8-7-14-5-3-2-4-6-14/h2-6,9-11,13,21H,12H2,1H3
InChIKeyNSFARMCQLNOCPN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.37
Rot. Bonds3

About 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol

1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol (PubChem CID 142479515) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
PubChem CID142479515
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
SMILESCC(O)c1nccn1Cc1cc(C#Cc2ccccc2)on1
InChIInChI=1S/C17H15N3O2/c1-13(21)17-18-9-10-20(17)12-15-11-16(22-19-15)8-7-14-5-3-2-4-6-14/h2-6,9-11,13,21H,12H2,1H3
InChIKeyNSFARMCQLNOCPN-UHFFFAOYSA-N
XLogP2.37
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol (CID 142479515) is 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol is CC(O)c1nccn1Cc1cc(C#Cc2ccccc2)on1.
What is the InChIKey of 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
The InChIKey is NSFARMCQLNOCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13(21)17-18-9-10-20(17)12-15-11-16(22-19-15)8-7-14-5-3-2-4-6-14/h2-6,9-11,13,21H,12H2,1H3.
What are the key properties of 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol?
1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol has a molecular weight of 293.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(2-phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 142479515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).