2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide

C12H12N2O2S — CID 71797717

IUPAC2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cnoc1
InChIInChI=1S/C12H12N2O2S/c1-2-17-11-6-4-3-5-10(11)12(15)14-9-7-13-16-8-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyFCKFMKHKNKXNGQ-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.04
Rot. Bonds4

About 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide

2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 71797717) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide
PubChem CID71797717
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1cnoc1
InChIInChI=1S/C12H12N2O2S/c1-2-17-11-6-4-3-5-10(11)12(15)14-9-7-13-16-8-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyFCKFMKHKNKXNGQ-UHFFFAOYSA-N
XLogP3.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide (CID 71797717) is 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide is CCSc1ccccc1C(=O)Nc1cnoc1.
What is the InChIKey of 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is FCKFMKHKNKXNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-17-11-6-4-3-5-10(11)12(15)14-9-7-13-16-8-9/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide?
2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 71797717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).