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

C20H24F2N4O3 — CID 58054247

IUPAC3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2
InChIInChI=1S/C20H24F2N4O3/c1-11(2)8-15(19(27)23-3)24-20(28)17-16-10-29-7-6-26(16)18(25-17)12-4-5-13(21)14(22)9-12/h4-5,9,11,15H,6-8,10H2,1-3H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKeyJJSHLKBVEHCXQG-HNNXBMFYSA-N
MW406.43 g/mol
LogP2.25
Rot. Bonds6

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

3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 58054247) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID58054247
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC Name3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2
InChIInChI=1S/C20H24F2N4O3/c1-11(2)8-15(19(27)23-3)24-20(28)17-16-10-29-7-6-26(16)18(25-17)12-4-5-13(21)14(22)9-12/h4-5,9,11,15H,6-8,10H2,1-3H3,(H,23,27)(H,24,28)/t15-/m0/s1
InChIKeyJJSHLKBVEHCXQG-HNNXBMFYSA-N
XLogP2.25
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-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)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 58054247) is 3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-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)-4-methyl-1-(methylamino)-1-oxopentan-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)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is JJSHLKBVEHCXQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-11(2)8-15(19(27)23-3)24-20(28)17-16-10-29-7-6-26(16)18(25-17)12-4-5-13(21)14(22)9-12/h4-5,9,11,15H,6-8,10H2,1-3H3,(H,23,27)(H,24,28)/t15-/m0/s1.
What are the key properties of 3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
3-(3,4-difluorophenyl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 2.25, 6 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)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 58054247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).