5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

C22H19FN2O3 — CID 4088501

IUPAC5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1OC(c1cccc(F)c1)N1NC(c3ccc(C)o3)=CC21
InChIInChI=1S/C22H19FN2O3/c1-13-9-10-19(27-13)17-12-18-16-7-4-8-20(26-2)21(16)28-22(25(18)24-17)14-5-3-6-15(23)11-14/h3-12,18,22,24H,1-2H3
InChIKeyJSNOVQMTKILRFH-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.73
Rot. Bonds3

About 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine

5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 4088501) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID4088501
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1OC(c1cccc(F)c1)N1NC(c3ccc(C)o3)=CC21
InChIInChI=1S/C22H19FN2O3/c1-13-9-10-19(27-13)17-12-18-16-7-4-8-20(26-2)21(16)28-22(25(18)24-17)14-5-3-6-15(23)11-14/h3-12,18,22,24H,1-2H3
InChIKeyJSNOVQMTKILRFH-UHFFFAOYSA-N
XLogP4.73
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-bromo-5-(3-fluorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4088499
5-(3-chlorophenyl)-2-(furan-2-yl)-7-methoxy-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147479
7-methoxy-2-(4-methoxyphenyl)-5-phenyl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4564985
5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-fluorophenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4147372
2-(4-ethoxyphenyl)-7-methoxy-5-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152409
5-(2,5-dimethoxyphenyl)-7-methoxy-2-thiophen-2-yl-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4152524
5-(3,4-difluorophenyl)-7-ethoxy-2-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191018
1'-benzyl-7-methoxy-2-(5-methylfuran-2-yl)spiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 4290404
7-ethoxy-2-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191016
(5R,10bR)-5-(3-fluorophenyl)-7-methoxy-2-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40545385
2-[(5R,10bR)-5-(3-fluorophenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
CID 136753572
2-(4-fluorophenyl)-7-methoxy-1'-methylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium]
CID 4290389

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine (CID 4088501) is 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is COc1cccc2c1OC(c1cccc(F)c1)N1NC(c3ccc(C)o3)=CC21.
What is the InChIKey of 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is JSNOVQMTKILRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-13-9-10-19(27-13)17-12-18-16-7-4-8-20(26-2)21(16)28-22(25(18)24-17)14-5-3-6-15(23)11-14/h3-12,18,22,24H,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine?
5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 378.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-7-methoxy-2-(5-methylfuran-2-yl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 4088501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).