[1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid

C26H25N3O5 — CID 90309741

About [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 90309741) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
• PubChem CID: 90309741
• Molecular Formula: C26H25N3O5
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.18
• IUPAC Name: [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid
• SMILES: O=C(O)NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CCO)C(=O)CO4)cc2)CCC1
• InChI: InChI=1S/C26H25N3O5/c30-14-13-29-21-15-20(17-5-2-1-3-6-17)23(27-24(21)34-16-22(29)31)18-7-9-19(10-8-18)26(11-4-12-26)28-25(32)33/h1-3,5-10,15,28,30H,4,11-14,16H2,(H,32,33)
• InChIKey: JAERIVVYGUCGIQ-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 111.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid?

The IUPAC name of [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid (CID 90309741) is [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid.

What is the SMILES notation for [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid?

The canonical SMILES for [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid is O=C(O)NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)N(CCO)C(=O)CO4)cc2)CCC1.

What is the InChIKey of [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid?

The InChIKey is JAERIVVYGUCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c30-14-13-29-21-15-20(17-5-2-1-3-6-17)23(27-24(21)34-16-22(29)31)18-7-9-19(10-8-18)26(11-4-12-26)28-25(32)33/h1-3,5-10,15,28,30H,4,11-14,16H2,(H,32,33).

What are the key properties of [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid?

[1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 459.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[4-[1-(2-hydroxyethyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 90309741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).