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

C20H24F2N4O3 — CID 58054283

IUPAC3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2cc(F)ccc2F)n2c1COCC2)C(C)(C)C
InChIInChI=1S/C20H24F2N4O3/c1-20(2,3)16(19(28)23-4)25-18(27)15-14-10-29-8-7-26(14)17(24-15)12-9-11(21)5-6-13(12)22/h5-6,9,16H,7-8,10H2,1-4H3,(H,23,28)(H,25,27)/t16-/m1/s1
InChIKeyLGJIOCYARLVRCT-MRXNPFEDSA-N
MW406.43 g/mol
LogP2.25
Rot. Bonds4

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

3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 58054283) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID58054283
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC Name3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1nc(-c2cc(F)ccc2F)n2c1COCC2)C(C)(C)C
InChIInChI=1S/C20H24F2N4O3/c1-20(2,3)16(19(28)23-4)25-18(27)15-14-10-29-8-7-26(14)17(24-15)12-9-11(21)5-6-13(12)22/h5-6,9,16H,7-8,10H2,1-4H3,(H,23,28)(H,25,27)/t16-/m1/s1
InChIKeyLGJIOCYARLVRCT-MRXNPFEDSA-N
XLogP2.25
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 58054283) is 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-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-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-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(-c2cc(F)ccc2F)n2c1COCC2)C(C)(C)C.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is LGJIOCYARLVRCT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-20(2,3)16(19(28)23-4)25-18(27)15-14-10-29-8-7-26(14)17(24-15)12-9-11(21)5-6-13(12)22/h5-6,9,16H,7-8,10H2,1-4H3,(H,23,28)(H,25,27)/t16-/m1/s1.
What are the key properties of 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-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, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 58054283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).