5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole

C18H14N2O3S — CID 25212337

IUPAC5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1
InChIInChI=1S/C18H14N2O3S/c1-2-24(21,22)14-6-8-17-16(11-14)20-18(23-17)13-5-7-15-12(10-13)4-3-9-19-15/h3-11H,2H2,1H3
InChIKeyDRWOPCAEMCWTGP-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.84
Rot. Bonds3

About 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole

5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole (PubChem CID 25212337) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole
PubChem CID25212337
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1
InChIInChI=1S/C18H14N2O3S/c1-2-24(21,22)14-6-8-17-16(11-14)20-18(23-17)13-5-7-15-12(10-13)4-3-9-19-15/h3-11H,2H2,1H3
InChIKeyDRWOPCAEMCWTGP-UHFFFAOYSA-N
XLogP3.84
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole?
The IUPAC name of 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole (CID 25212337) is 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole.
What is the SMILES notation for 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole?
The canonical SMILES for 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1.
What is the InChIKey of 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole?
The InChIKey is DRWOPCAEMCWTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-2-24(21,22)14-6-8-17-16(11-14)20-18(23-17)13-5-7-15-12(10-13)4-3-9-19-15/h3-11H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole?
5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole has a molecular weight of 338.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-quinolin-6-yl-1,3-benzoxazole is sourced from PubChem (CID 25212337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).