2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide

C19H23ClN2O3S — CID 20860487

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C19H23ClN2O3S/c1-13-17(22-19(25-13)14-7-9-15(20)10-8-14)11-26(24)12-18(23)21-16-5-3-2-4-6-16/h7-10,16H,2-6,11-12H2,1H3,(H,21,23)
InChIKeyDBBOIHBRABJWTG-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.00
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide (PubChem CID 20860487) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide
PubChem CID20860487
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C19H23ClN2O3S/c1-13-17(22-19(25-13)14-7-9-15(20)10-8-14)11-26(24)12-18(23)21-16-5-3-2-4-6-16/h7-10,16H,2-6,11-12H2,1H3,(H,21,23)
InChIKeyDBBOIHBRABJWTG-UHFFFAOYSA-N
XLogP4.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide (CID 20860487) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide?
The InChIKey is DBBOIHBRABJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13-17(22-19(25-13)14-7-9-15(20)10-8-14)11-26(24)12-18(23)21-16-5-3-2-4-6-16/h7-10,16H,2-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide has a molecular weight of 394.92 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclohexylacetamide is sourced from PubChem (CID 20860487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).