2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole

C19H15NO3S — CID 773549

IUPAC2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole
SMILESO=S(=O)(CCc1nc2ccccc2o1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO3S/c21-24(22,16-10-9-14-5-1-2-6-15(14)13-16)12-11-19-20-17-7-3-4-8-18(17)23-19/h1-10,13H,11-12H2
InChIKeyRCBREHKTEXSSAO-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole

2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole (PubChem CID 773549) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole
PubChem CID773549
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole
SMILESO=S(=O)(CCc1nc2ccccc2o1)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO3S/c21-24(22,16-10-9-14-5-1-2-6-15(14)13-16)12-11-19-20-17-7-3-4-8-18(17)23-19/h1-10,13H,11-12H2
InChIKeyRCBREHKTEXSSAO-UHFFFAOYSA-N
XLogP4.00
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Ethylsulfonyl)-2-(2-naphthalenyl)benzoxazole
CID 25109292
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
CID 10041271
N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide
CID 25211124
N-(4-Benzooxazol-2-yl-phenyl)-benzenesulfonamide
CID 648231
N-(4-(benzo[d]oxazol-2-yl)phenyl)-2-(methylsulfonyl)benzamide
CID 7267030
N-(2-methyl-1,3-benzoxazol-5-yl)-3-methylsulfonylbenzamide
CID 9268906
(1S,2S)-6-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-1,2-dihydronaphthalene-1,2-diol
CID 155554879
2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzooxazole
CID 589412
4-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-2-phenyl-oxazole
CID 22624559
2-(4-Chlorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
CID 24970899
2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
CID 25211317
(E)-3-[4-(1-Benzoxazol-2-yl-1-methyl-ethyl)-benzenesulfonyl]-acrylonitrile
CID 60171237

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole (CID 773549) is 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole is O=S(=O)(CCc1nc2ccccc2o1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole?
The InChIKey is RCBREHKTEXSSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-24(22,16-10-9-14-5-1-2-6-15(14)13-16)12-11-19-20-17-7-3-4-8-18(17)23-19/h1-10,13H,11-12H2.
What are the key properties of 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole?
2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole has a molecular weight of 337.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylsulfonylethyl)-1,3-benzoxazole is sourced from PubChem (CID 773549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).