(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

C15H19FN2O3 — CID 167948360

IUPAC(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESCOC1CC(N)(C(=O)N2CCOc3cc(F)ccc3C2)C1
InChIInChI=1S/C15H19FN2O3/c1-20-12-7-15(17,8-12)14(19)18-4-5-21-13-6-11(16)3-2-10(13)9-18/h2-3,6,12H,4-5,7-9,17H2,1H3
InChIKeyCICKEFQTHTUTPZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.05
Rot. Bonds2

About (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (PubChem CID 167948360) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
PubChem CID167948360
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESCOC1CC(N)(C(=O)N2CCOc3cc(F)ccc3C2)C1
InChIInChI=1S/C15H19FN2O3/c1-20-12-7-15(17,8-12)14(19)18-4-5-21-13-6-11(16)3-2-10(13)9-18/h2-3,6,12H,4-5,7-9,17H2,1H3
InChIKeyCICKEFQTHTUTPZ-UHFFFAOYSA-N
XLogP1.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone with MolForge

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Related Compounds

(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166270376
N-(4,4-dimethyloxolan-3-yl)-8-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 132970938
(2R)-2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 129495142
N-hydroxy-4-(4-methoxypiperidine-1-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438089
2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 121215418
4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440681
tert-butyl 8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 59403455
[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl]-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 146111396
2-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 166246409
N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-8-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 129487269
2-(1-bicyclo[1.1.1]pentanyl)-N-[4-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,6-dimethylphenyl]acetamide
CID 168967066
N-[(2R)-butan-2-yl]-7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 129349492

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The IUPAC name of (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (CID 167948360) is (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.
What is the SMILES notation for (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The canonical SMILES for (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is COC1CC(N)(C(=O)N2CCOc3cc(F)ccc3C2)C1.
What is the InChIKey of (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The InChIKey is CICKEFQTHTUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-20-12-7-15(17,8-12)14(19)18-4-5-21-13-6-11(16)3-2-10(13)9-18/h2-3,6,12H,4-5,7-9,17H2,1H3.
What are the key properties of (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone has a molecular weight of 294.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is sourced from PubChem (CID 167948360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).