2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C15H17FN2O — CID 162760635

IUPAC2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1n2nc(-c3ccc(F)cc3)cc2COC1(C)C
InChIInChI=1S/C15H17FN2O/c1-10-15(2,3)19-9-13-8-14(17-18(10)13)11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyPWLRAGRNOONRIT-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.56
Rot. Bonds1

About 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760635) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760635
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1n2nc(-c3ccc(F)cc3)cc2COC1(C)C
InChIInChI=1S/C15H17FN2O/c1-10-15(2,3)19-9-13-8-14(17-18(10)13)11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3
InChIKeyPWLRAGRNOONRIT-UHFFFAOYSA-N
XLogP3.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole
CID 175947440
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305964
1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82306811
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 126553087
[7-amino-2-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanol
CID 91035203
ethane;5-fluoro-3,3-dimethyl-1H-2-benzofuran
CID 144945393
3-(4-fluorophenyl)pyrazole-1,5-diamine
CID 23084895
(8R)-2-(4-fluorophenyl)-8-methyl-7,8-dihydro-5H-imidazo[1,2-a]pyrazin-6-one
CID 58179266
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2S,6R)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 27817184
2-[4-fluoro-2-(4-fluorophenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 122212429
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 118061988

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760635) is 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is CC1n2nc(-c3ccc(F)cc3)cc2COC1(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is PWLRAGRNOONRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10-15(2,3)19-9-13-8-14(17-18(10)13)11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 260.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).