N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide

C19H26N5O4S+ — CID 7587777

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 7587777) has the molecular formula C19H26N5O4S+ and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
• PubChem CID: 7587777
• Molecular Formula: C19H26N5O4S+
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.17
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
• SMILES: Cc1cc(NC(=O)CSc2nc(=O)n(CC[NH+]3CCOCC3)c3c2CCC3)no1
• InChI: InChI=1S/C19H25N5O4S/c1-13-11-16(22-28-13)20-17(25)12-29-18-14-3-2-4-15(14)24(19(26)21-18)6-5-23-7-9-27-10-8-23/h11H,2-10,12H2,1H3,(H,20,22,25)/p+1
• InChIKey: DTBATCMSSXRRNI-UHFFFAOYSA-O
• XLogP: -0.33
• TPSA: 103.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	-0.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide (CID 7587777) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nc(=O)n(CC[NH+]3CCOCC3)c3c2CCC3)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?

The InChIKey is DTBATCMSSXRRNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O4S/c1-13-11-16(22-28-13)20-17(25)12-29-18-14-3-2-4-15(14)24(19(26)21-18)6-5-23-7-9-27-10-8-23/h11H,2-10,12H2,1H3,(H,20,22,25)/p+1.

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 420.52 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[1-(2-morpholin-4-ium-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 7587777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).