N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide

C20H17N3O4S — CID 50793974

About N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide

N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide (PubChem CID 50793974) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide
• PubChem CID: 50793974
• Molecular Formula: C20H17N3O4S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.09
• IUPAC Name: N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide
• SMILES: Cc1cc2nc(COc3cc(NC(=O)c4cccs4)ccc3C)cc(=O)n2o1
• InChI: InChI=1S/C20H17N3O4S/c1-12-5-6-14(22-20(25)17-4-3-7-28-17)9-16(12)26-11-15-10-19(24)23-18(21-15)8-13(2)27-23/h3-10H,11H2,1-2H3,(H,22,25)
• InChIKey: NBCXWZBTBBFWRE-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide (CID 50793974) is N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide is Cc1cc2nc(COc3cc(NC(=O)c4cccs4)ccc3C)cc(=O)n2o1.

What is the InChIKey of N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide?

The InChIKey is NBCXWZBTBBFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-12-5-6-14(22-20(25)17-4-3-7-28-17)9-16(12)26-11-15-10-19(24)23-18(21-15)8-13(2)27-23/h3-10H,11H2,1-2H3,(H,22,25).

What are the key properties of N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide?

N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 50793974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).