(6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C23H25N3O4 — CID 125127981

About (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

(6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125127981) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• PubChem CID: 125127981
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• SMILES: CCOc1cccc(CNC(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)c1
• InChI: InChI=1S/C23H25N3O4/c1-3-29-19-6-4-5-16(11-19)12-24-23(27)22-20-14-30-21(13-26(20)15-25-22)17-7-9-18(28-2)10-8-17/h4-11,15,21H,3,12-14H2,1-2H3,(H,24,27)/t21-/m0/s1
• InChIKey: QZCWCQDYSMHEPY-NRFANRHFSA-N
• XLogP: 3.49
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The IUPAC name of (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125127981) is (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

What is the SMILES notation for (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The canonical SMILES for (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is CCOc1cccc(CNC(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)c1.

What is the InChIKey of (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The InChIKey is QZCWCQDYSMHEPY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-19-6-4-5-16(11-19)12-24-23(27)22-20-14-30-21(13-26(20)15-25-22)17-7-9-18(28-2)10-8-17/h4-11,15,21H,3,12-14H2,1-2H3,(H,24,27)/t21-/m0/s1.

What are the key properties of (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

(6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-[(3-ethoxyphenyl)methyl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125127981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).