2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole

C18H17NO3S — CID 25211317

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C18H17NO3S/c1-2-23(20,21)15-8-9-17-16(11-15)19-18(22-17)14-7-6-12-4-3-5-13(12)10-14/h6-11H,2-5H2,1H3
InChIKeyRJMUHOYBLMUKAO-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.78
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole

2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole (PubChem CID 25211317) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
PubChem CID25211317
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C18H17NO3S/c1-2-23(20,21)15-8-9-17-16(11-15)19-18(22-17)14-7-6-12-4-3-5-13(12)10-14/h6-11H,2-5H2,1H3
InChIKeyRJMUHOYBLMUKAO-UHFFFAOYSA-N
XLogP3.78
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole (CID 25211317) is 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(-c3ccc4c(c3)CCC4)nc2c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole?
The InChIKey is RJMUHOYBLMUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-2-23(20,21)15-8-9-17-16(11-15)19-18(22-17)14-7-6-12-4-3-5-13(12)10-14/h6-11H,2-5H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole?
2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole has a molecular weight of 327.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole is sourced from PubChem (CID 25211317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).