4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide

C12H12N2O2S — CID 99825748

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1coc(SCc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H12N2O2S/c1-8-6-16-12(14-8)17-7-9-2-4-10(5-3-9)11(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyCHJSLMHSYGIYOU-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.37
Rot. Bonds4

About 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide

4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 99825748) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
PubChem CID99825748
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1coc(SCc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H12N2O2S/c1-8-6-16-12(14-8)17-7-9-2-4-10(5-3-9)11(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyCHJSLMHSYGIYOU-UHFFFAOYSA-N
XLogP2.37
TPSA69.12 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide (CID 99825748) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide is Cc1coc(SCc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is CHJSLMHSYGIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-6-16-12(14-8)17-7-9-2-4-10(5-3-9)11(13)15/h2-6H,7H2,1H3,(H2,13,15).
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 248.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 99825748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).