(5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H19N3O3S2 — CID 42499385

About (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42499385) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 42499385
• Molecular Formula: C20H19N3O3S2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.09
• IUPAC Name: (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: COc1ccc(CC2=NO[C@H](C(=O)NCc3csc(-c4cccs4)n3)C2)cc1
• InChI: InChI=1S/C20H19N3O3S2/c1-25-16-6-4-13(5-7-16)9-14-10-17(26-23-14)19(24)21-11-15-12-28-20(22-15)18-3-2-8-27-18/h2-8,12,17H,9-11H2,1H3,(H,21,24)/t17-/m0/s1
• InChIKey: HNGYKFVRBLAZSI-KRWDZBQOSA-N
• XLogP: 3.88
• TPSA: 72.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42499385) is (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(CC2=NO[C@H](C(=O)NCc3csc(-c4cccs4)n3)C2)cc1.

What is the InChIKey of (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is HNGYKFVRBLAZSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-25-16-6-4-13(5-7-16)9-14-10-17(26-23-14)19(24)21-11-15-12-28-20(22-15)18-3-2-8-27-18/h2-8,12,17H,9-11H2,1H3,(H,21,24)/t17-/m0/s1.

What are the key properties of (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

(5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42499385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).