6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C20H15N5O4 — CID 91889946

IUPAC6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESc1cncc(-c2noc(-c3cc4n(n3)CC(c3ccc5c(c3)OCO5)OC4)n2)c1
InChIInChI=1S/C20H15N5O4/c1-2-13(8-21-5-1)19-22-20(29-24-19)15-7-14-10-26-18(9-25(14)23-15)12-3-4-16-17(6-12)28-11-27-16/h1-8,18H,9-11H2
InChIKeyQZWGCQYZVGFXTO-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.00
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 91889946) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID91889946
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESc1cncc(-c2noc(-c3cc4n(n3)CC(c3ccc5c(c3)OCO5)OC4)n2)c1
InChIInChI=1S/C20H15N5O4/c1-2-13(8-21-5-1)19-22-20(29-24-19)15-7-14-10-26-18(9-25(14)23-15)12-3-4-16-17(6-12)28-11-27-16/h1-8,18H,9-11H2
InChIKeyQZWGCQYZVGFXTO-UHFFFAOYSA-N
XLogP3.00
TPSA97.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

(6R)-6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128382
(6S)-6-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127882
(6S)-6-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128971
(6R)-6-(4-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125125786
(6S)-6-(4-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125125785
(6S)-6-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127817
(6S)-6-(4-fluorophenyl)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126887
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889892
6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889884
(6S)-6-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125125915
6-(4-fluorophenyl)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889961
(6R)-6-(4-ethoxyphenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128208

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 91889946) is 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is c1cncc(-c2noc(-c3cc4n(n3)CC(c3ccc5c(c3)OCO5)OC4)n2)c1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is QZWGCQYZVGFXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-2-13(8-21-5-1)19-22-20(29-24-19)15-7-14-10-26-18(9-25(14)23-15)12-3-4-16-17(6-12)28-11-27-16/h1-8,18H,9-11H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 389.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).