6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C15H19FN2O3 — CID 128917405

IUPAC6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCC1CC(NC(=O)N2CCOc3cccc(F)c3C2)CO1
InChIInChI=1S/C15H19FN2O3/c1-10-7-11(9-21-10)17-15(19)18-5-6-20-14-4-2-3-13(16)12(14)8-18/h2-4,10-11H,5-9H2,1H3,(H,17,19)
InChIKeyQVRPIUIZAMRFCH-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.91
Rot. Bonds1

About 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 128917405) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID128917405
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCC1CC(NC(=O)N2CCOc3cccc(F)c3C2)CO1
InChIInChI=1S/C15H19FN2O3/c1-10-7-11(9-21-10)17-15(19)18-5-6-20-14-4-2-3-13(16)12(14)8-18/h2-4,10-11H,5-9H2,1H3,(H,17,19)
InChIKeyQVRPIUIZAMRFCH-UHFFFAOYSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 128917408
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 138992824
5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one
CID 126807250
3-fluoro-N-(5-methyloxolan-3-yl)azetidine-1-carboxamide
CID 126794114
6-fluoro-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 132972002
(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanone
CID 128987514
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71974305
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 126797803
(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 138992941
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97349930
N-(4,4-dimethyloxolan-3-yl)-8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 132970938
(2S,4R)-1-acetyl-4-[(4-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 59441308

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 128917405) is 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is CC1CC(NC(=O)N2CCOc3cccc(F)c3C2)CO1.
What is the InChIKey of 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is QVRPIUIZAMRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-7-11(9-21-10)17-15(19)18-5-6-20-14-4-2-3-13(16)12(14)8-18/h2-4,10-11H,5-9H2,1H3,(H,17,19).
What are the key properties of 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 128917405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).