1,3-oxazole;quinoline;hydrate

C12H12N2O2 — CID 174580573

IUPAC1,3-oxazole;quinoline;hydrate
SMILESO.c1ccc2ncccc2c1.c1cocn1
InChIInChI=1S/C9H7N.C3H3NO.H2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H2
InChIKeyHDLOPYHVJQMCAP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.08
Rot. Bonds

About 1,3-oxazole;quinoline;hydrate

1,3-oxazole;quinoline;hydrate (PubChem CID 174580573) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1,3-oxazole;quinoline;hydrate.

Molecular Properties

Compound Name1,3-oxazole;quinoline;hydrate
PubChem CID174580573
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1,3-oxazole;quinoline;hydrate
SMILESO.c1ccc2ncccc2c1.c1cocn1
InChIInChI=1S/C9H7N.C3H3NO.H2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H2
InChIKeyHDLOPYHVJQMCAP-UHFFFAOYSA-N
XLogP2.08
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;quinoline;hydrate?
The IUPAC name of 1,3-oxazole;quinoline;hydrate (CID 174580573) is 1,3-oxazole;quinoline;hydrate.
What is the SMILES notation for 1,3-oxazole;quinoline;hydrate?
The canonical SMILES for 1,3-oxazole;quinoline;hydrate is O.c1ccc2ncccc2c1.c1cocn1.
What is the InChIKey of 1,3-oxazole;quinoline;hydrate?
The InChIKey is HDLOPYHVJQMCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H3NO.H2O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-3-4-1;/h1-7H;1-3H;1H2.
What are the key properties of 1,3-oxazole;quinoline;hydrate?
1,3-oxazole;quinoline;hydrate has a molecular weight of 216.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;quinoline;hydrate is sourced from PubChem (CID 174580573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).