2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide

C20H16N2O3S — CID 46927013

IUPAC2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C20H16N2O3S/c23-26(24)11-3-10-22(26)17-8-9-19-18(13-17)21-20(25-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-9,12-13H,3,10-11H2
InChIKeyCLJWGCRZFCQTOP-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.19
Rot. Bonds2

About 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide

2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 46927013) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID46927013
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C20H16N2O3S/c23-26(24)11-3-10-22(26)17-8-9-19-18(13-17)21-20(25-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-9,12-13H,3,10-11H2
InChIKeyCLJWGCRZFCQTOP-UHFFFAOYSA-N
XLogP4.19
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide (CID 46927013) is 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccc2oc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is CLJWGCRZFCQTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-26(24)11-3-10-22(26)17-8-9-19-18(13-17)21-20(25-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-9,12-13H,3,10-11H2.
What are the key properties of 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 364.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 46927013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).