2-prop-2-enyl-1,3-oxazole;quinoline

C15H14N2O — CID 174429376

IUPAC2-prop-2-enyl-1,3-oxazole;quinoline
SMILESC=CCc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-6-7-4-5-8-6/h1-7H;2,4-5H,1,3H2
InChIKeySBZXSDMMWILQGM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.64
Rot. Bonds2

About 2-prop-2-enyl-1,3-oxazole;quinoline

2-prop-2-enyl-1,3-oxazole;quinoline (PubChem CID 174429376) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3-oxazole;quinoline.

Molecular Properties

Compound Name2-prop-2-enyl-1,3-oxazole;quinoline
PubChem CID174429376
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-prop-2-enyl-1,3-oxazole;quinoline
SMILESC=CCc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-6-7-4-5-8-6/h1-7H;2,4-5H,1,3H2
InChIKeySBZXSDMMWILQGM-UHFFFAOYSA-N
XLogP3.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,3-oxazole;quinoline?
The IUPAC name of 2-prop-2-enyl-1,3-oxazole;quinoline (CID 174429376) is 2-prop-2-enyl-1,3-oxazole;quinoline.
What is the SMILES notation for 2-prop-2-enyl-1,3-oxazole;quinoline?
The canonical SMILES for 2-prop-2-enyl-1,3-oxazole;quinoline is C=CCc1ncco1.c1ccc2ncccc2c1.
What is the InChIKey of 2-prop-2-enyl-1,3-oxazole;quinoline?
The InChIKey is SBZXSDMMWILQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H7NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-6-7-4-5-8-6/h1-7H;2,4-5H,1,3H2.
What are the key properties of 2-prop-2-enyl-1,3-oxazole;quinoline?
2-prop-2-enyl-1,3-oxazole;quinoline has a molecular weight of 238.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,3-oxazole;quinoline is sourced from PubChem (CID 174429376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).