2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine

C17H14FN3O — CID 110226268

IUPAC2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine
SMILESFc1ccc(-n2cc(C3Nc4ccccc4CO3)cn2)cc1
InChIInChI=1S/C17H14FN3O/c18-14-5-7-15(8-6-14)21-10-13(9-19-21)17-20-16-4-2-1-3-12(16)11-22-17/h1-10,17,20H,11H2
InChIKeyWVKYTEVBDJVCIK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.65
Rot. Bonds2

About 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine

2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine (PubChem CID 110226268) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine
PubChem CID110226268
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine
SMILESFc1ccc(-n2cc(C3Nc4ccccc4CO3)cn2)cc1
InChIInChI=1S/C17H14FN3O/c18-14-5-7-15(8-6-14)21-10-13(9-19-21)17-20-16-4-2-1-3-12(16)11-22-17/h1-10,17,20H,11H2
InChIKeyWVKYTEVBDJVCIK-UHFFFAOYSA-N
XLogP3.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine (CID 110226268) is 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine is Fc1ccc(-n2cc(C3Nc4ccccc4CO3)cn2)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine?
The InChIKey is WVKYTEVBDJVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-5-7-15(8-6-14)21-10-13(9-19-21)17-20-16-4-2-1-3-12(16)11-22-17/h1-10,17,20H,11H2.
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine?
2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine has a molecular weight of 295.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine is sourced from PubChem (CID 110226268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).