4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole

C38H28N8O2S2 — CID 158284265

IUPAC4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
SMILESC1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cnco3)c21.C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cocn3)c21
InChIInChI=1S/2C19H14N4OS/c1-2-4-13(5-3-1)19(17-9-20-12-25-17)7-6-14-15(8-19)22-23-18(14)16-10-24-11-21-16;1-2-4-13(5-3-1)19(17-10-21-12-25-17)7-6-14-15(8-19)22-23-18(14)16-9-20-11-24-16/h2*1-7,9-12H,8H2,(H,22,23)
InChIKeyGKOVDLQFVZQHAN-UHFFFAOYSA-N
MW692.83 g/mol
LogP8.15
Rot. Bonds6

About 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole

4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole (PubChem CID 158284265) has the molecular formula C38H28N8O2S2 and a molecular weight of 692.83 g/mol. Its IUPAC name is 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
PubChem CID158284265
Molecular FormulaC38H28N8O2S2
Molecular Weight692.83 g/mol
Exact Mass692.18
IUPAC Name4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
SMILESC1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cnco3)c21.C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cocn3)c21
InChIInChI=1S/2C19H14N4OS/c1-2-4-13(5-3-1)19(17-9-20-12-25-17)7-6-14-15(8-19)22-23-18(14)16-10-24-11-21-16;1-2-4-13(5-3-1)19(17-10-21-12-25-17)7-6-14-15(8-19)22-23-18(14)16-9-20-11-24-16/h2*1-7,9-12H,8H2,(H,22,23)
InChIKeyGKOVDLQFVZQHAN-UHFFFAOYSA-N
XLogP8.15
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole 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-[6-Phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21928738
5-[6-Phenyl-6-(1,3-thiazol-4-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929087
2-[6-Phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21929779
5-[6-Phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole
CID 21930051
N-[3-(ethylaminomethyl)phenyl]-5-(1,3-thiazol-5-yl)-1H-indazole-3-carboxamide;N-(6-methoxy-3-pyridinyl)-5-(1,3-oxazol-5-yl)-1H-indazole-3-carboxamide
CID 69606502
N-[3-(diethylaminomethyl)phenyl]-5-(1,3-oxazol-5-yl)-1H-indazole-3-carboxamide;N-[3-(diethylaminomethyl)phenyl]-5-(1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 69606562
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-5-[3-[5-[3-(1,3-thiazole-2-carbonylamino)propylcarbamoyl]-1H-pyrazol-3-yl]phenyl]-1,3-oxazole-2-carboxamide
CID 131991751
2-[4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-6-thiophen-2-yl-2-pyridinyl]-1,3-oxazole
CID 140971284
2-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6,6-dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6,6-dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 157102456
2-(6-Phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;4-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole
CID 157181198
1-(2,2-dimethylpropyl)cyclopenta-1,3-diene;2-(2,2-dimethylpropyl)furan;4-(2,2-dimethylpropyl)-2H-imidazole;4-(2,2-dimethylpropyl)-2-methyl-5H-1,3-oxazol-5-ide;5-(2,2-dimethylpropyl)-4-methyl-1H-pyrazole;2-(2,2-dimethylpropyl)-6-methylpyridine;2-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)-2H-pyrrole;4-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-5-tritio-2,3-dihydropyrrol-3-ide;hexa-2,4-diyne;uranium;yttrium
CID 157470878
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-oxazole;6-phenyl-6-thiophen-2-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 157853246

Frequently Asked Questions

What is the IUPAC name of 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The IUPAC name of 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole (CID 158284265) is 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The canonical SMILES for 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole is C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cnco3)c21.C1=CC(c2ccccc2)(c2cncs2)Cc2[nH]nc(-c3cocn3)c21.
What is the InChIKey of 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
The InChIKey is GKOVDLQFVZQHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14N4OS/c1-2-4-13(5-3-1)19(17-9-20-12-25-17)7-6-14-15(8-19)22-23-18(14)16-10-24-11-21-16;1-2-4-13(5-3-1)19(17-10-21-12-25-17)7-6-14-15(8-19)22-23-18(14)16-9-20-11-24-16/h2*1-7,9-12H,8H2,(H,22,23).
What are the key properties of 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole?
4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole has a molecular weight of 692.83 g/mol, XLogP of 8.15, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole;5-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 158284265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).