2-ethyl-1,3-oxazole;quinoline

C14H14N2O — CID 174841400

IUPAC2-ethyl-1,3-oxazole;quinoline
SMILESCCc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-6-3-4-7-5/h1-7H;3-4H,2H2,1H3
InChIKeyWHBJATNWLZHNPN-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.47
Rot. Bonds1

About 2-ethyl-1,3-oxazole;quinoline

2-ethyl-1,3-oxazole;quinoline (PubChem CID 174841400) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethyl-1,3-oxazole;quinoline.

Molecular Properties

Compound Name2-ethyl-1,3-oxazole;quinoline
PubChem CID174841400
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-ethyl-1,3-oxazole;quinoline
SMILESCCc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-6-3-4-7-5/h1-7H;3-4H,2H2,1H3
InChIKeyWHBJATNWLZHNPN-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-oxazole;quinoline?
The IUPAC name of 2-ethyl-1,3-oxazole;quinoline (CID 174841400) is 2-ethyl-1,3-oxazole;quinoline.
What is the SMILES notation for 2-ethyl-1,3-oxazole;quinoline?
The canonical SMILES for 2-ethyl-1,3-oxazole;quinoline is CCc1ncco1.c1ccc2ncccc2c1.
What is the InChIKey of 2-ethyl-1,3-oxazole;quinoline?
The InChIKey is WHBJATNWLZHNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-6-3-4-7-5/h1-7H;3-4H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-oxazole;quinoline?
2-ethyl-1,3-oxazole;quinoline has a molecular weight of 226.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-oxazole;quinoline is sourced from PubChem (CID 174841400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).