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

C19H18ClN3O3S — CID 20860462

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1ccccn1
InChIInChI=1S/C19H18ClN3O3S/c1-13-17(23-19(26-13)14-5-7-15(20)8-6-14)11-27(25)12-18(24)22-10-16-4-2-3-9-21-16/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyOVCJHMVCPGOGFW-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.26
Rot. Bonds7

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

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 20860462) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID20860462
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1ccccn1
InChIInChI=1S/C19H18ClN3O3S/c1-13-17(23-19(26-13)14-5-7-15(20)8-6-14)11-27(25)12-18(24)22-10-16-4-2-3-9-21-16/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyOVCJHMVCPGOGFW-UHFFFAOYSA-N
XLogP3.26
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.26
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-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide (CID 20860462) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1ccccn1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OVCJHMVCPGOGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-13-17(23-19(26-13)14-5-7-15(20)8-6-14)11-27(25)12-18(24)22-10-16-4-2-3-9-21-16/h2-9H,10-12H2,1H3,(H,22,24).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.26, 7 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 20860462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).