2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole

C16H15N5O2S — CID 137303295

IUPAC2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCCc1noc(C(C)Sc2nnc(-c3c[nH]c4ccccc34)o2)n1
InChIInChI=1S/C16H15N5O2S/c1-3-13-18-14(23-21-13)9(2)24-16-20-19-15(22-16)11-8-17-12-7-5-4-6-10(11)12/h4-9,17H,3H2,1-2H3
InChIKeyUXMHXERRZCYMKE-UHFFFAOYSA-N
MW341.40 g/mol
LogP4.02
Rot. Bonds5

About 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole

2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole (PubChem CID 137303295) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
PubChem CID137303295
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
SMILESCCc1noc(C(C)Sc2nnc(-c3c[nH]c4ccccc34)o2)n1
InChIInChI=1S/C16H15N5O2S/c1-3-13-18-14(23-21-13)9(2)24-16-20-19-15(22-16)11-8-17-12-7-5-4-6-10(11)12/h4-9,17H,3H2,1-2H3
InChIKeyUXMHXERRZCYMKE-UHFFFAOYSA-N
XLogP4.02
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
N,N-diethyl-4-[5-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]aniline
CID 60546957
N-benzyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815016
3-butyl-5-[1-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 135959599
2-[(1R)-1-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 136824497
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
5-[1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 47148255
2-(1H-indol-3-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 858951
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135569671

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole (CID 137303295) is 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole is CCc1noc(C(C)Sc2nnc(-c3c[nH]c4ccccc34)o2)n1.
What is the InChIKey of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
The InChIKey is UXMHXERRZCYMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-3-13-18-14(23-21-13)9(2)24-16-20-19-15(22-16)11-8-17-12-7-5-4-6-10(11)12/h4-9,17H,3H2,1-2H3.
What are the key properties of 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole?
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole has a molecular weight of 341.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 137303295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).