N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C22H23N3O3 — CID 91894289

About N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 91894289) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• PubChem CID: 91894289
• Molecular Formula: C22H23N3O3
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.17
• IUPAC Name: N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• SMILES: COc1ccc(C(C)NC(=O)c2ncn3c2COC(c2ccccc2)C3)cc1
• InChI: InChI=1S/C22H23N3O3/c1-15(16-8-10-18(27-2)11-9-16)24-22(26)21-19-13-28-20(12-25(19)14-23-21)17-6-4-3-5-7-17/h3-11,14-15,20H,12-13H2,1-2H3,(H,24,26)
• InChIKey: BUPVANFSAFLSIP-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 91894289) is N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

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

The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is COc1ccc(C(C)NC(=O)c2ncn3c2COC(c2ccccc2)C3)cc1.

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

The InChIKey is BUPVANFSAFLSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(16-8-10-18(27-2)11-9-16)24-22(26)21-19-13-28-20(12-25(19)14-23-21)17-6-4-3-5-7-17/h3-11,14-15,20H,12-13H2,1-2H3,(H,24,26).

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

N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methoxyphenyl)ethyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 91894289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).