2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C12H11BrN2O — CID 134563896

IUPAC2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESBrc1cc2n(n1)CCOC2c1ccccc1
InChIInChI=1S/C12H11BrN2O/c13-11-8-10-12(9-4-2-1-3-5-9)16-7-6-15(10)14-11/h1-5,8,12H,6-7H2
InChIKeyFCMJYZUGTAMTKC-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.77
Rot. Bonds1

About 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 134563896) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID134563896
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESBrc1cc2n(n1)CCOC2c1ccccc1
InChIInChI=1S/C12H11BrN2O/c13-11-8-10-12(9-4-2-1-3-5-9)16-7-6-15(10)14-11/h1-5,8,12H,6-7H2
InChIKeyFCMJYZUGTAMTKC-UHFFFAOYSA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S)-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]propan-1-one
CID 137408050
CID 153353900
CID 153353900
8-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 23651542
1-(2,3-dihydroazet-4-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
CID 145138466
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine
CID 86969354
2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 86684050
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
8-naphthalen-1-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 141328667
N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide
CID 58592489
4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-sulfonamide
CID 169042469
2-phenylmorpholin-4-amine;hydrochloride
CID 54605145

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 134563896) is 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Brc1cc2n(n1)CCOC2c1ccccc1.
What is the InChIKey of 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is FCMJYZUGTAMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-11-8-10-12(9-4-2-1-3-5-9)16-7-6-15(10)14-11/h1-5,8,12H,6-7H2.
What are the key properties of 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 279.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 134563896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).