benzene;1,3-oxazole;quinoline

C18H16N2O — CID 174909453

IUPACbenzene;1,3-oxazole;quinoline
SMILESc1ccc2ncccc2c1.c1ccccc1.c1cocn1
InChIInChI=1S/C9H7N.C6H6.C3H3NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-6-5-3-1;1-2-5-3-4-1/h1-7H;1-6H;1-3H
InChIKeyQTUIYNNZSCVBBH-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.60
Rot. Bonds

About benzene;1,3-oxazole;quinoline

benzene;1,3-oxazole;quinoline (PubChem CID 174909453) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is benzene;1,3-oxazole;quinoline.

Molecular Properties

Compound Namebenzene;1,3-oxazole;quinoline
PubChem CID174909453
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Namebenzene;1,3-oxazole;quinoline
SMILESc1ccc2ncccc2c1.c1ccccc1.c1cocn1
InChIInChI=1S/C9H7N.C6H6.C3H3NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-6-5-3-1;1-2-5-3-4-1/h1-7H;1-6H;1-3H
InChIKeyQTUIYNNZSCVBBH-UHFFFAOYSA-N
XLogP4.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;1,3-oxazole;quinoline?
The IUPAC name of benzene;1,3-oxazole;quinoline (CID 174909453) is benzene;1,3-oxazole;quinoline.
What is the SMILES notation for benzene;1,3-oxazole;quinoline?
The canonical SMILES for benzene;1,3-oxazole;quinoline is c1ccc2ncccc2c1.c1ccccc1.c1cocn1.
What is the InChIKey of benzene;1,3-oxazole;quinoline?
The InChIKey is QTUIYNNZSCVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H6.C3H3NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-6-5-3-1;1-2-5-3-4-1/h1-7H;1-6H;1-3H.
What are the key properties of benzene;1,3-oxazole;quinoline?
benzene;1,3-oxazole;quinoline has a molecular weight of 276.34 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-oxazole;quinoline is sourced from PubChem (CID 174909453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).