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

C16H19ClN2O3S — CID 20860473

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC(C)C
InChIInChI=1S/C16H19ClN2O3S/c1-10(2)18-15(20)9-23(21)8-14-11(3)22-16(19-14)12-4-6-13(17)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyDQBSBAHHFGDMDI-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.08
Rot. Bonds6

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

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide (PubChem CID 20860473) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide
PubChem CID20860473
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC(C)C
InChIInChI=1S/C16H19ClN2O3S/c1-10(2)18-15(20)9-23(21)8-14-11(3)22-16(19-14)12-4-6-13(17)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyDQBSBAHHFGDMDI-UHFFFAOYSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.08
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-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide (CID 20860473) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NC(C)C.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide?
The InChIKey is DQBSBAHHFGDMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-10(2)18-15(20)9-23(21)8-14-11(3)22-16(19-14)12-4-6-13(17)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-propan-2-ylacetamide has a molecular weight of 354.86 g/mol, XLogP of 3.08, 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-propan-2-ylacetamide is sourced from PubChem (CID 20860473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).