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

C22H20N4O3 — CID 125128784

IUPAC(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCOc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccccc2)OC3)n1
InChIInChI=1S/C22H20N4O3/c1-2-27-19-11-7-6-10-17(19)21-23-22(29-25-21)18-12-16-14-28-20(13-26(16)24-18)15-8-4-3-5-9-15/h3-12,20H,2,13-14H2,1H3/t20-/m0/s1
InChIKeyWYUKZSJILXLRTF-FQEVSTJZSA-N
MW388.43 g/mol
LogP4.27
Rot. Bonds5

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

(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 125128784) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID125128784
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCCOc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccccc2)OC3)n1
InChIInChI=1S/C22H20N4O3/c1-2-27-19-11-7-6-10-17(19)21-23-22(29-25-21)18-12-16-14-28-20(13-26(16)24-18)15-8-4-3-5-9-15/h3-12,20H,2,13-14H2,1H3/t20-/m0/s1
InChIKeyWYUKZSJILXLRTF-FQEVSTJZSA-N
XLogP4.27
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 125128784) is (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CCOc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccccc2)OC3)n1.
What is the InChIKey of (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is WYUKZSJILXLRTF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-27-19-11-7-6-10-17(19)21-23-22(29-25-21)18-12-16-14-28-20(13-26(16)24-18)15-8-4-3-5-9-15/h3-12,20H,2,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
(6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 388.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125128784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).