1,3-benzoxazole;isoquinoline;1,3-oxazole

C19H15N3O2 — CID 174953844

IUPAC1,3-benzoxazole;isoquinoline;1,3-oxazole
SMILESc1ccc2cnccc2c1.c1ccc2ocnc2c1.c1cocn1
InChIInChI=1S/C9H7N.C7H5NO.C3H3NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-7H;1-5H;1-3H
InChIKeyRXGFGIDCZMAMAO-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.74
Rot. Bonds

About 1,3-benzoxazole;isoquinoline;1,3-oxazole

1,3-benzoxazole;isoquinoline;1,3-oxazole (PubChem CID 174953844) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1,3-benzoxazole;isoquinoline;1,3-oxazole.

Molecular Properties

Compound Name1,3-benzoxazole;isoquinoline;1,3-oxazole
PubChem CID174953844
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name1,3-benzoxazole;isoquinoline;1,3-oxazole
SMILESc1ccc2cnccc2c1.c1ccc2ocnc2c1.c1cocn1
InChIInChI=1S/C9H7N.C7H5NO.C3H3NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-7H;1-5H;1-3H
InChIKeyRXGFGIDCZMAMAO-UHFFFAOYSA-N
XLogP4.74
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazole;1,3-oxazole;1H-pyrrole
CID 174604310
1,3-benzoxazole;naphthalene
CID 69020592
CID 70416438
CID 70416438
CID 161250572
CID 161250572
1,3-benzoxazole;quinoline
CID 87081350
1,3-benzoxazole;quinoxaline
CID 67655660
1,3-benzoxazole;boric acid
CID 157492468
ethane;isoquinoline;hydroiodide
CID 153349858
isoquinoline;1,3,5-triazine
CID 175198893
hydroxylamine;isoquinoline
CID 158472415
bis(1,3-benzoxazole);thiophene
CID 68571342
dibenzofuran;1,3-oxazole
CID 157355196

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;isoquinoline;1,3-oxazole?
The IUPAC name of 1,3-benzoxazole;isoquinoline;1,3-oxazole (CID 174953844) is 1,3-benzoxazole;isoquinoline;1,3-oxazole.
What is the SMILES notation for 1,3-benzoxazole;isoquinoline;1,3-oxazole?
The canonical SMILES for 1,3-benzoxazole;isoquinoline;1,3-oxazole is c1ccc2cnccc2c1.c1ccc2ocnc2c1.c1cocn1.
What is the InChIKey of 1,3-benzoxazole;isoquinoline;1,3-oxazole?
The InChIKey is RXGFGIDCZMAMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H5NO.C3H3NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1/h1-7H;1-5H;1-3H.
What are the key properties of 1,3-benzoxazole;isoquinoline;1,3-oxazole?
1,3-benzoxazole;isoquinoline;1,3-oxazole has a molecular weight of 317.35 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;isoquinoline;1,3-oxazole is sourced from PubChem (CID 174953844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).