1,3-benzoxazole;quinoline

C16H12N2O — CID 87081350

IUPAC1,3-benzoxazole;quinoline
SMILESc1ccc2ncccc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C9H7N.C7H5NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)8-5-9-7/h1-7H;1-5H
InChIKeyAKQIJUCZWUAMNJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.06
Rot. Bonds

About 1,3-benzoxazole;quinoline

1,3-benzoxazole;quinoline (PubChem CID 87081350) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,3-benzoxazole;quinoline.

Molecular Properties

Compound Name1,3-benzoxazole;quinoline
PubChem CID87081350
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name1,3-benzoxazole;quinoline
SMILESc1ccc2ncccc2c1.c1ccc2ocnc2c1
InChIInChI=1S/C9H7N.C7H5NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)8-5-9-7/h1-7H;1-5H
InChIKeyAKQIJUCZWUAMNJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzoxazole;naphthalene
CID 69020592
1,3-benzoxazole;quinoxaline
CID 67655660
CID 70416438
CID 70416438
CID 161250572
CID 161250572
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;quinoline?
The IUPAC name of 1,3-benzoxazole;quinoline (CID 87081350) is 1,3-benzoxazole;quinoline.
What is the SMILES notation for 1,3-benzoxazole;quinoline?
The canonical SMILES for 1,3-benzoxazole;quinoline is c1ccc2ncccc2c1.c1ccc2ocnc2c1.
What is the InChIKey of 1,3-benzoxazole;quinoline?
The InChIKey is AKQIJUCZWUAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H5NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-7-6(3-1)8-5-9-7/h1-7H;1-5H.
What are the key properties of 1,3-benzoxazole;quinoline?
1,3-benzoxazole;quinoline has a molecular weight of 248.29 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;quinoline is sourced from PubChem (CID 87081350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).