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

C19H15N5O2 — CID 91889884

IUPAC6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESc1ccc(C2Cn3nc(-c4nc(-c5ccccn5)no4)cc3CO2)cc1
InChIInChI=1S/C19H15N5O2/c1-2-6-13(7-3-1)17-11-24-14(12-25-17)10-16(22-24)19-21-18(23-26-19)15-8-4-5-9-20-15/h1-10,17H,11-12H2
InChIKeyTUIVACWPPNFILF-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.27
Rot. Bonds3

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

6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 91889884) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID91889884
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESc1ccc(C2Cn3nc(-c4nc(-c5ccccn5)no4)cc3CO2)cc1
InChIInChI=1S/C19H15N5O2/c1-2-6-13(7-3-1)17-11-24-14(12-25-17)10-16(22-24)19-21-18(23-26-19)15-8-4-5-9-20-15/h1-10,17H,11-12H2
InChIKeyTUIVACWPPNFILF-UHFFFAOYSA-N
XLogP3.27
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
(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
6-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889908
(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
(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126356
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
(6R)-6-(4-chlorophenyl)-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127761
(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
(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)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-ethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126174
2-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91890001

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 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) is 6-phenyl-2-(3-pyridin-2-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-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is c1ccc(C2Cn3nc(-c4nc(-c5ccccn5)no4)cc3CO2)cc1.
What is the InChIKey of 6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is TUIVACWPPNFILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-2-6-13(7-3-1)17-11-24-14(12-25-17)10-16(22-24)19-21-18(23-26-19)15-8-4-5-9-20-15/h1-10,17H,11-12H2.
What are the key properties of 6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 345.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).