6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C19H15BrFN3O2 — CID 91889766

IUPAC6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2n(n1)CC(c1ccc(Br)cc1)OC2
InChIInChI=1S/C19H15BrFN3O2/c20-13-3-1-12(2-4-13)18-10-24-16(11-26-18)9-17(23-24)19(25)22-15-7-5-14(21)6-8-15/h1-9,18H,10-11H2,(H,22,25)
InChIKeyMOBVYNZKVPAMMW-UHFFFAOYSA-N
MW416.25 g/mol
LogP4.31
Rot. Bonds3

About 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889766) has the molecular formula C19H15BrFN3O2 and a molecular weight of 416.25 g/mol. Its IUPAC name is 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889766
Molecular FormulaC19H15BrFN3O2
Molecular Weight416.25 g/mol
Exact Mass415.03
IUPAC Name6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2n(n1)CC(c1ccc(Br)cc1)OC2
InChIInChI=1S/C19H15BrFN3O2/c20-13-3-1-12(2-4-13)18-10-24-16(11-26-18)9-17(23-24)19(25)22-15-7-5-14(21)6-8-15/h1-9,18H,10-11H2,(H,22,25)
InChIKeyMOBVYNZKVPAMMW-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Chlorophenyl)-N-(4-fluoro-2-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889753
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
CID 71087734
3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71105844
2-methyl-5-phenyl-2H-pyrazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112733
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 71112742
US11072607, Example #5
CID 134607442
6-(4-Chlorophenyl)-N-(3,4-difluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889748
6-(4-Chlorophenyl)-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889747
N-(3-Chloro-4-fluorophenyl)-6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889751
6-(4-Chlorophenyl)-N-(3-fluoro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889752
6-(4-Bromophenyl)-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889765
6-(4-Bromophenyl)-N-(3,4-difluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889767

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889766) is 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2n(n1)CC(c1ccc(Br)cc1)OC2.
What is the InChIKey of 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is MOBVYNZKVPAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O2/c20-13-3-1-12(2-4-13)18-10-24-16(11-26-18)9-17(23-24)19(25)22-15-7-5-14(21)6-8-15/h1-9,18H,10-11H2,(H,22,25).
What are the key properties of 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 416.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-N-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).