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

C21H23F2N5O3 — CID 58054139

IUPAC3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCc1noc([C@@H](NC(=O)c2nc(-c3ccc(F)c(F)c3)n3c2COCC3)C(C)(C)C)n1
InChIInChI=1S/C21H23F2N5O3/c1-11-24-20(31-27-11)17(21(2,3)4)26-19(29)16-15-10-30-8-7-28(15)18(25-16)12-5-6-13(22)14(23)9-12/h5-6,9,17H,7-8,10H2,1-4H3,(H,26,29)/t17-/m1/s1
InChIKeyLEZAUCGLVPVTLU-QGZVFWFLSA-N
MW431.44 g/mol
LogP3.57
Rot. Bonds4

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

3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 58054139) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID58054139
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCc1noc([C@@H](NC(=O)c2nc(-c3ccc(F)c(F)c3)n3c2COCC3)C(C)(C)C)n1
InChIInChI=1S/C21H23F2N5O3/c1-11-24-20(31-27-11)17(21(2,3)4)26-19(29)16-15-10-30-8-7-28(15)18(25-16)12-5-6-13(22)14(23)9-12/h5-6,9,17H,7-8,10H2,1-4H3,(H,26,29)/t17-/m1/s1
InChIKeyLEZAUCGLVPVTLU-QGZVFWFLSA-N
XLogP3.57
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(4-Tert-butylphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazin-1-YL]-1,2,4-oxadiazole
CID 87053792
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889357
6-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91917164
(R)-7-[3-amino-4-(2,4,5-trifluoro-phenyl)-butyryl]-3-trifluoromethyl-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine-1-carboxylic acid ethyl ester hydrochloride
CID 44194233
ethyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 44194234
3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,9-tetrahydroimidazo[5,1-c][1,4]oxazepine-1-carboxamide
CID 46213933
3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56615218
ethyl 7-[3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 57518443
3-(2,5-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 57736783
3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 57737020
3-(2,5-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 57737039
N-[(1R)-2,2-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]-7-methyl-3-(2,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 57737058

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 58054139) is 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is Cc1noc([C@@H](NC(=O)c2nc(-c3ccc(F)c(F)c3)n3c2COCC3)C(C)(C)C)n1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is LEZAUCGLVPVTLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-11-24-20(31-27-11)17(21(2,3)4)26-19(29)16-15-10-30-8-7-28(15)18(25-16)12-5-6-13(22)14(23)9-12/h5-6,9,17H,7-8,10H2,1-4H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(1S)-2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 58054139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).