ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole

C10H15N3O — CID 143067827

IUPACethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole
SMILESCC.CCc1cc(-c2ncc[nH]2)no1
InChIInChI=1S/C8H9N3O.C2H6/c1-2-6-5-7(11-12-6)8-9-3-4-10-8;1-2/h3-5H,2H2,1H3,(H,9,10);1-2H3
InChIKeyBCPCVTJAWZZPDM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.65
Rot. Bonds2

About ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole

ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole (PubChem CID 143067827) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Nameethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole
PubChem CID143067827
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Nameethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole
SMILESCC.CCc1cc(-c2ncc[nH]2)no1
InChIInChI=1S/C8H9N3O.C2H6/c1-2-6-5-7(11-12-6)8-9-3-4-10-8;1-2/h3-5H,2H2,1H3,(H,9,10);1-2H3
InChIKeyBCPCVTJAWZZPDM-UHFFFAOYSA-N
XLogP2.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole?
The IUPAC name of ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole (CID 143067827) is ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole.
What is the SMILES notation for ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole?
The canonical SMILES for ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole is CC.CCc1cc(-c2ncc[nH]2)no1.
What is the InChIKey of ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole?
The InChIKey is BCPCVTJAWZZPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C2H6/c1-2-6-5-7(11-12-6)8-9-3-4-10-8;1-2/h3-5H,2H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole?
ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole has a molecular weight of 193.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-(1H-imidazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 143067827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).