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

C17H14N4O2S — CID 68663687

IUPAC2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CSc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C17H14N4O2S/c1-22-14-5-2-11(3-6-14)10-24-17-21-20-16(23-17)12-4-7-15-13(8-12)9-18-19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyPIISCLMDFJMBBQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.91
Rot. Bonds5

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

2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 68663687) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID68663687
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CSc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C17H14N4O2S/c1-22-14-5-2-11(3-6-14)10-24-17-21-20-16(23-17)12-4-7-15-13(8-12)9-18-19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyPIISCLMDFJMBBQ-UHFFFAOYSA-N
XLogP3.91
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 2579534
2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 855861
2-(4-methoxyphenyl)-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 31768026
5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 25108997
2-(1H-indazol-6-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 118267192
2-[(3-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7241917
2-[[4-(difluoromethoxy)phenyl]methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 60558848
2-(3,4-dimethoxyphenyl)-5-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 60524480
2-(4-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 1168111
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2579360
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 68663687) is 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is COc1ccc(CSc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1.
What is the InChIKey of 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is PIISCLMDFJMBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-22-14-5-2-11(3-6-14)10-24-17-21-20-16(23-17)12-4-7-15-13(8-12)9-18-19-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 338.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68663687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).