(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C20H18BrN3O2 — CID 125126419

About (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125126419) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• PubChem CID: 125126419
• Molecular Formula: C20H18BrN3O2
• Molecular Weight: 412.29 g/mol
• Exact Mass: 411.06
• IUPAC Name: (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• SMILES: O=C(NCc1ccccc1Br)c1ncn2c1CO[C@@H](c1ccccc1)C2
• InChI: InChI=1S/C20H18BrN3O2/c21-16-9-5-4-8-15(16)10-22-20(25)19-17-12-26-18(11-24(17)13-23-19)14-6-2-1-3-7-14/h1-9,13,18H,10-12H2,(H,22,25)/t18-/m1/s1
• InChIKey: GBPBVSXZVGIWCY-GOSISDBHSA-N
• XLogP: 3.85
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.29
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The IUPAC name of (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125126419) is (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

What is the SMILES notation for (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The canonical SMILES for (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is O=C(NCc1ccccc1Br)c1ncn2c1CO[C@@H](c1ccccc1)C2.

What is the InChIKey of (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The InChIKey is GBPBVSXZVGIWCY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-16-9-5-4-8-15(16)10-22-20(25)19-17-12-26-18(11-24(17)13-23-19)14-6-2-1-3-7-14/h1-9,13,18H,10-12H2,(H,22,25)/t18-/m1/s1.

What are the key properties of (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

(6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 412.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(2-bromophenyl)methyl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125126419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).