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Haloxazolam

C17H14BrFN2O2 — CID 3563

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
SMILESO=C1CN2CCOC2(c2ccccc2F)c2cc(Br)ccc2N1
InChIInChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyXDKCGKQHVBOOHC-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.07
Rot. Bonds1

About Haloxazolam

Haloxazolam (PubChem CID 3563) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is 10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound NameHaloxazolam
PubChem CID3563
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
SMILESO=C1CN2CCOC2(c2ccccc2F)c2cc(Br)ccc2N1
InChIInChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
InChIKeyXDKCGKQHVBOOHC-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(11bS)-10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 25273631
10-bromo-11b-(2-fluorophenyl)-7-methyl-3,5-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 14245078
11b-(2-Fluorophenyl)-10-methyl-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 14909584
11b-(2-Fluorophenyl)-10-iodo-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 21409976
2-(2-fluorophenyl)-3,5,7,11b-tetrahydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 68811191
10-bromo-7-butan-2-yl-11b-(2-fluorophenyl)-3,5-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
CID 135213682

Frequently Asked Questions

What is the IUPAC name of Haloxazolam?
The IUPAC name of Haloxazolam (CID 3563) is 10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for Haloxazolam?
The canonical SMILES for Haloxazolam is O=C1CN2CCOC2(c2ccccc2F)c2cc(Br)ccc2N1.
What is the InChIKey of Haloxazolam?
The InChIKey is XDKCGKQHVBOOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22).
What are the key properties of Haloxazolam?
Haloxazolam has a molecular weight of 377.21 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Haloxazolam is sourced from PubChem (CID 3563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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