4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

C19H16N2O2S — CID 14699384

IUPAC4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(C(Cc2ccccc2)c2ccc3ccccc3c2)NO1
InChIInChI=1S/C19H16N2O2S/c22-24-21-19(20-23-24)18(12-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)
InChIKeyNTKPVYUTMPRXGN-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.68
Rot. Bonds4

About 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide

4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14699384) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14699384
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(C(Cc2ccccc2)c2ccc3ccccc3c2)NO1
InChIInChI=1S/C19H16N2O2S/c22-24-21-19(20-23-24)18(12-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)
InChIKeyNTKPVYUTMPRXGN-UHFFFAOYSA-N
XLogP3.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14699384) is 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is O=S1N=C(C(Cc2ccccc2)c2ccc3ccccc3c2)NO1.
What is the InChIKey of 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is NTKPVYUTMPRXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-24-21-19(20-23-24)18(12-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21).
What are the key properties of 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 336.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-naphthalen-2-yl-2-phenylethyl)-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14699384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).