3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C17H14N6O5 — CID 90973986

About 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 90973986) has the molecular formula C17H14N6O5 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
• PubChem CID: 90973986
• Molecular Formula: C17H14N6O5
• Molecular Weight: 382.34 g/mol
• Exact Mass: 382.10
• IUPAC Name: 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
• SMILES: Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)O)n4ncc(N)c4n3)cc21
• InChI: InChI=1S/C17H14N6O5/c1-22-11-4-8(2-3-13(11)28-17(22)27)6-19-15(24)10-5-12(16(25)26)23-14(21-10)9(18)7-20-23/h2-5,7H,6,18H2,1H3,(H,19,24)(H,25,26)
• InChIKey: UUVGHBSTXLILED-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 157.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.34
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?

The IUPAC name of 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 90973986) is 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

What is the SMILES notation for 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?

The canonical SMILES for 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)O)n4ncc(N)c4n3)cc21.

What is the InChIKey of 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?

The InChIKey is UUVGHBSTXLILED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O5/c1-22-11-4-8(2-3-13(11)28-17(22)27)6-19-15(24)10-5-12(16(25)26)23-14(21-10)9(18)7-20-23/h2-5,7H,6,18H2,1H3,(H,19,24)(H,25,26).

What are the key properties of 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?

3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 382.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 90973986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).