(6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole

C18H19N3O — CID 12503556

IUPAC(6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole
SMILESC[C@@H]1C[C@]2(c3ccccc3)ON=C(c3ccccc3)N2N1C
InChIInChI=1S/C18H19N3O/c1-14-13-18(16-11-7-4-8-12-16)21(20(14)2)17(19-22-18)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyFDWLPEULCSKGMR-RDTXWAMCSA-N
MW293.37 g/mol
LogP3.17
Rot. Bonds2

About (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole

(6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole (PubChem CID 12503556) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole.

Molecular Properties

Compound Name(6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole
PubChem CID12503556
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole
SMILESC[C@@H]1C[C@]2(c3ccccc3)ON=C(c3ccccc3)N2N1C
InChIInChI=1S/C18H19N3O/c1-14-13-18(16-11-7-4-8-12-16)21(20(14)2)17(19-22-18)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyFDWLPEULCSKGMR-RDTXWAMCSA-N
XLogP3.17
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Dimethyl-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 7113042
4-tert-butyl-5-(4-methylphenyl)-3-phenyl-5H-1,2,4-oxadiazole
CID 15257620
5-Benzyl-4-butyl-3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole
CID 89515446
5-methyl-3,6-diphenyl-7,7a-dihydro-6H-pyrazolo[1,5-d][1,2,4]oxadiazole
CID 12503561
4-methyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12954952
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
(5S)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-phenyl-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 100988986
(5R)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-phenyl-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 100988987
(5S)-4-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-5-methyl-3-phenyl-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 100988992
(5S)-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-5-methyl-3-phenyl-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 100988997
(5S)-5-ethyl-4-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3,5-diphenyl-1,2,4-oxadiazole
CID 100988998
5-Benzyl-4-butyl-5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 90444101

Frequently Asked Questions

What is the IUPAC name of (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole?
The IUPAC name of (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole (CID 12503556) is (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole.
What is the SMILES notation for (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole?
The canonical SMILES for (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole is C[C@@H]1C[C@]2(c3ccccc3)ON=C(c3ccccc3)N2N1C.
What is the InChIKey of (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole?
The InChIKey is FDWLPEULCSKGMR-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-13-18(16-11-7-4-8-12-16)21(20(14)2)17(19-22-18)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole?
(6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole has a molecular weight of 293.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aR)-5,6-dimethyl-3,7a-diphenyl-6,7-dihydropyrazolo[1,5-d][1,2,4]oxadiazole is sourced from PubChem (CID 12503556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).