2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide

C16H14N2O3S — CID 684469

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyYNOVCYAIYYGEFW-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide (PubChem CID 684469) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
PubChem CID684469
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyYNOVCYAIYYGEFW-UHFFFAOYSA-N
XLogP3.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide (CID 684469) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is YNOVCYAIYYGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-12-6-4-5-11(9-12)17-15(19)10-22-16-18-13-7-2-3-8-14(13)21-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 684469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).