5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride

C14H15BrClFN2O2 — CID 90354915

IUPAC5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride
SMILESCC1Cn2c(-c3ccc(F)c(O)c3)nc(Br)c2CCO1.Cl
InChIInChI=1S/C14H14BrFN2O2.ClH/c1-8-7-18-11(4-5-20-8)13(15)17-14(18)9-2-3-10(16)12(19)6-9;/h2-3,6,8,19H,4-5,7H2,1H3;1H
InChIKeyZTNYFVRGIRMTDF-UHFFFAOYSA-N
MW377.64 g/mol
LogP3.54
Rot. Bonds1

About 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride

5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride (PubChem CID 90354915) has the molecular formula C14H15BrClFN2O2 and a molecular weight of 377.64 g/mol. Its IUPAC name is 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride.

Molecular Properties

Compound Name5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride
PubChem CID90354915
Molecular FormulaC14H15BrClFN2O2
Molecular Weight377.64 g/mol
Exact Mass376.00
IUPAC Name5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride
SMILESCC1Cn2c(-c3ccc(F)c(O)c3)nc(Br)c2CCO1.Cl
InChIInChI=1S/C14H14BrFN2O2.ClH/c1-8-7-18-11(4-5-20-8)13(15)17-14(18)9-2-3-10(16)12(19)6-9;/h2-3,6,8,19H,4-5,7H2,1H3;1H
InChIKeyZTNYFVRGIRMTDF-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride?
The IUPAC name of 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride (CID 90354915) is 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride.
What is the SMILES notation for 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride?
The canonical SMILES for 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride is CC1Cn2c(-c3ccc(F)c(O)c3)nc(Br)c2CCO1.Cl.
What is the InChIKey of 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride?
The InChIKey is ZTNYFVRGIRMTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2.ClH/c1-8-7-18-11(4-5-20-8)13(15)17-14(18)9-2-3-10(16)12(19)6-9;/h2-3,6,8,19H,4-5,7H2,1H3;1H.
What are the key properties of 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride?
5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride has a molecular weight of 377.64 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl)-2-fluorophenol;hydrochloride is sourced from PubChem (CID 90354915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).