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

C18H20N4O3 — CID 91890022

IUPAC6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCCc1noc(-c2cc3n(n2)CC(c2ccc(OC)cc2)OC3)n1
InChIInChI=1S/C18H20N4O3/c1-3-4-17-19-18(25-21-17)15-9-13-11-24-16(10-22(13)20-15)12-5-7-14(23-2)8-6-12/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyJSFVHIIPGFBPRV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.17
Rot. Bonds5

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

6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 91890022) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID91890022
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCCc1noc(-c2cc3n(n2)CC(c2ccc(OC)cc2)OC3)n1
InChIInChI=1S/C18H20N4O3/c1-3-4-17-19-18(25-21-17)15-9-13-11-24-16(10-22(13)20-15)12-5-7-14(23-2)8-6-12/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyJSFVHIIPGFBPRV-UHFFFAOYSA-N
XLogP3.17
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 91890022) is 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CCCc1noc(-c2cc3n(n2)CC(c2ccc(OC)cc2)OC3)n1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is JSFVHIIPGFBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-4-17-19-18(25-21-17)15-9-13-11-24-16(10-22(13)20-15)12-5-7-14(23-2)8-6-12/h5-9,16H,3-4,10-11H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 340.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91890022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).