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

C19H26ClN3O3S — CID 3244781

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C19H26ClN3O3S/c1-4-23(5-2)11-10-21-18(24)13-27(25)12-17-14(3)26-19(22-17)15-6-8-16(20)9-7-15/h6-9H,4-5,10-13H2,1-3H3,(H,21,24)
InChIKeyVDOAZWOFFDIXEM-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.01
Rot. Bonds10

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

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide (PubChem CID 3244781) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide
PubChem CID3244781
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C19H26ClN3O3S/c1-4-23(5-2)11-10-21-18(24)13-27(25)12-17-14(3)26-19(22-17)15-6-8-16(20)9-7-15/h6-9H,4-5,10-13H2,1-3H3,(H,21,24)
InChIKeyVDOAZWOFFDIXEM-UHFFFAOYSA-N
XLogP3.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide (CID 3244781) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide is CCN(CC)CCNC(=O)CS(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide?
The InChIKey is VDOAZWOFFDIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3S/c1-4-23(5-2)11-10-21-18(24)13-27(25)12-17-14(3)26-19(22-17)15-6-8-16(20)9-7-15/h6-9H,4-5,10-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(diethylamino)ethyl]acetamide has a molecular weight of 411.96 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 3244781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).