2-methyl-1,3-oxazole;quinoline

C13H12N2O — CID 174966439

IUPAC2-methyl-1,3-oxazole;quinoline
SMILESCc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H5NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-5-2-3-6-4/h1-7H;2-3H,1H3
InChIKeyPADIXSYUJAOGFV-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.22
Rot. Bonds

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

2-methyl-1,3-oxazole;quinoline (PubChem CID 174966439) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole;quinoline.

Molecular Properties

Compound Name2-methyl-1,3-oxazole;quinoline
PubChem CID174966439
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-methyl-1,3-oxazole;quinoline
SMILESCc1ncco1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H5NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-5-2-3-6-4/h1-7H;2-3H,1H3
InChIKeyPADIXSYUJAOGFV-UHFFFAOYSA-N
XLogP3.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazole;quinoline?
The IUPAC name of 2-methyl-1,3-oxazole;quinoline (CID 174966439) is 2-methyl-1,3-oxazole;quinoline.
What is the SMILES notation for 2-methyl-1,3-oxazole;quinoline?
The canonical SMILES for 2-methyl-1,3-oxazole;quinoline is Cc1ncco1.c1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-1,3-oxazole;quinoline?
The InChIKey is PADIXSYUJAOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H5NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-4-5-2-3-6-4/h1-7H;2-3H,1H3.
What are the key properties of 2-methyl-1,3-oxazole;quinoline?
2-methyl-1,3-oxazole;quinoline has a molecular weight of 212.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazole;quinoline is sourced from PubChem (CID 174966439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).