4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

C15H14N2O3S — CID 14677839

IUPAC4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(Cc2ccc(OCc3ccccc3)cc2)NO1
InChIInChI=1S/C15H14N2O3S/c18-21-17-15(16-20-21)10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChIKeyRKTNMVYCFCXXEA-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.32
Rot. Bonds5

About 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide

4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 14677839) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID14677839
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
SMILESO=S1N=C(Cc2ccc(OCc3ccccc3)cc2)NO1
InChIInChI=1S/C15H14N2O3S/c18-21-17-15(16-20-21)10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
InChIKeyRKTNMVYCFCXXEA-UHFFFAOYSA-N
XLogP2.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide (CID 14677839) is 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is O=S1N=C(Cc2ccc(OCc3ccccc3)cc2)NO1.
What is the InChIKey of 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is RKTNMVYCFCXXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-21-17-15(16-20-21)10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17).
What are the key properties of 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide?
4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 302.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylmethoxyphenyl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 14677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).