(2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide

C19H19ClN2O2S2 — CID 31407456

About (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide

(2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide (PubChem CID 31407456) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
• PubChem CID: 31407456
• Molecular Formula: C19H19ClN2O2S2
• Molecular Weight: 406.96 g/mol
• Exact Mass: 406.06
• IUPAC Name: (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
• SMILES: Cc1oc(-c2cccs2)nc1CS[C@H](C)C(=O)NCc1ccccc1Cl
• InChI: InChI=1S/C19H19ClN2O2S2/c1-12-16(22-19(24-12)17-8-5-9-25-17)11-26-13(2)18(23)21-10-14-6-3-4-7-15(14)20/h3-9,13H,10-11H2,1-2H3,(H,21,23)/t13-/m1/s1
• InChIKey: WTTFVOWUKJRCPY-CYBMUJFWSA-N
• XLogP: 5.30
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.96
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?

The IUPAC name of (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide (CID 31407456) is (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide.

What is the SMILES notation for (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?

The canonical SMILES for (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide is Cc1oc(-c2cccs2)nc1CS[C@H](C)C(=O)NCc1ccccc1Cl.

What is the InChIKey of (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?

The InChIKey is WTTFVOWUKJRCPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c1-12-16(22-19(24-12)17-8-5-9-25-17)11-26-13(2)18(23)21-10-14-6-3-4-7-15(14)20/h3-9,13H,10-11H2,1-2H3,(H,21,23)/t13-/m1/s1.

What are the key properties of (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?

(2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 406.96 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 31407456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).