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

C20H15ClN4O2 — CID 125126356

IUPAC(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESClc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1
InChIInChI=1S/C20H15ClN4O2/c21-15-8-6-13(7-9-15)18-11-25-16(12-26-18)10-17(23-25)20-22-19(24-27-20)14-4-2-1-3-5-14/h1-10,18H,11-12H2/t18-/m0/s1
InChIKeyFNZUXVUIFLUTKQ-SFHVURJKSA-N
MW378.82 g/mol
LogP4.53
Rot. Bonds3

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

(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 125126356) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID125126356
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESClc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1
InChIInChI=1S/C20H15ClN4O2/c21-15-8-6-13(7-9-15)18-11-25-16(12-26-18)10-17(23-25)20-22-19(24-27-20)14-4-2-1-3-5-14/h1-10,18H,11-12H2/t18-/m0/s1
InChIKeyFNZUXVUIFLUTKQ-SFHVURJKSA-N
XLogP4.53
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-6-(4-chlorophenyl)-2-(3-phenyl-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

(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-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-chlorophenyl)-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889926
6-(4-chlorophenyl)-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 91889925
(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
(6R)-6-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125128862
(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-chlorophenyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127175
(6S)-6-(4-chlorophenyl)-2-(3-propyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127731
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

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of (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) is (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Clc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1.
What is the InChIKey of (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is FNZUXVUIFLUTKQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-15-8-6-13(7-9-15)18-11-25-16(12-26-18)10-17(23-25)20-22-19(24-27-20)14-4-2-1-3-5-14/h1-10,18H,11-12H2/t18-/m0/s1.
What are the key properties of (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
(6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 378.82 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125126356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).