3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole

C19H13N5O2S — CID 167819354

IUPAC3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nc(-c4n[nH]c5ccccc45)no3)cs2)cc1
InChIInChI=1S/C19H13N5O2S/c1-25-12-8-6-11(7-9-12)19-20-15(10-27-19)18-21-17(24-26-18)16-13-4-2-3-5-14(13)22-23-16/h2-10H,1H3,(H,22,23)
InChIKeyZBTIFNNXYJUFHZ-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.41
Rot. Bonds4

About 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole

3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole (PubChem CID 167819354) has the molecular formula C19H13N5O2S and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole
PubChem CID167819354
Molecular FormulaC19H13N5O2S
Molecular Weight375.41 g/mol
Exact Mass375.08
IUPAC Name3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3nc(-c4n[nH]c5ccccc45)no3)cs2)cc1
InChIInChI=1S/C19H13N5O2S/c1-25-12-8-6-11(7-9-12)19-20-15(10-27-19)18-21-17(24-26-18)16-13-4-2-3-5-14(13)22-23-16/h2-10H,1H3,(H,22,23)
InChIKeyZBTIFNNXYJUFHZ-UHFFFAOYSA-N
XLogP4.41
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]-3-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 167849504
2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
CID 22259263
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
5-(1H-indazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 141467446
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66379358
5-(1H-indazol-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 94069316
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
3-(3-fluorophenyl)-5-(1H-indazol-3-yl)-1,2,4-oxadiazole
CID 56770576
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478309

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole (CID 167819354) is 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3nc(-c4n[nH]c5ccccc45)no3)cs2)cc1.
What is the InChIKey of 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is ZBTIFNNXYJUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2S/c1-25-12-8-6-11(7-9-12)19-20-15(10-27-19)18-21-17(24-26-18)16-13-4-2-3-5-14(13)22-23-16/h2-10H,1H3,(H,22,23).
What are the key properties of 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole?
3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 375.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 167819354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).