2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

C15H16N2O2S — CID 16942524

IUPAC2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1onc2c1CCCC2
InChIInChI=1S/C15H16N2O2S/c18-14(10-20-11-6-2-1-3-7-11)16-15-12-8-4-5-9-13(12)17-19-15/h1-3,6-7H,4-5,8-10H2,(H,16,18)
InChIKeyVELWUYFGYNQYNL-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.28
Rot. Bonds4

About 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide

2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide (PubChem CID 16942524) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
PubChem CID16942524
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide
SMILESO=C(CSc1ccccc1)Nc1onc2c1CCCC2
InChIInChI=1S/C15H16N2O2S/c18-14(10-20-11-6-2-1-3-7-11)16-15-12-8-4-5-9-13(12)17-19-15/h1-3,6-7H,4-5,8-10H2,(H,16,18)
InChIKeyVELWUYFGYNQYNL-UHFFFAOYSA-N
XLogP3.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide (CID 16942524) is 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide is O=C(CSc1ccccc1)Nc1onc2c1CCCC2.
What is the InChIKey of 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
The InChIKey is VELWUYFGYNQYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(10-20-11-6-2-1-3-7-11)16-15-12-8-4-5-9-13(12)17-19-15/h1-3,6-7H,4-5,8-10H2,(H,16,18).
What are the key properties of 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide?
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 16942524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).