3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C19H22F2N4O3 — CID 58054209

About 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 58054209) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• PubChem CID: 58054209
• Molecular Formula: C19H22F2N4O3
• Molecular Weight: 392.41 g/mol
• Exact Mass: 392.17
• IUPAC Name: 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• SMILES: CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2)C(C)C
• InChI: InChI=1S/C19H22F2N4O3/c1-10(2)15(18(26)22-3)24-19(27)16-14-9-28-7-6-25(14)17(23-16)11-4-5-12(20)13(21)8-11/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,22,26)(H,24,27)/t15-/m0/s1
• InChIKey: IHTLWWFYOZWOOM-HNNXBMFYSA-N
• XLogP: 1.86
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.41
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 58054209) is 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2)C(C)C.

What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The InChIKey is IHTLWWFYOZWOOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-10(2)15(18(26)22-3)24-19(27)16-14-9-28-7-6-25(14)17(23-16)11-4-5-12(20)13(21)8-11/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,22,26)(H,24,27)/t15-/m0/s1.

What are the key properties of 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-difluorophenyl)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 58054209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).