5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C16H12N4O3S — CID 95904221

IUPAC5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(-c2cccs2)no1
InChIInChI=1S/C16H12N4O3S/c1-10(15-18-14(20-23-15)13-3-2-8-24-13)22-12-6-4-11(5-7-12)16-19-17-9-21-16/h2-10H,1H3/t10-/m0/s1
InChIKeyXOWSKTRZQXYTCG-JTQLQIEISA-N
MW340.36 g/mol
LogP3.99
Rot. Bonds5

About 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 95904221) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID95904221
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(-c2cccs2)no1
InChIInChI=1S/C16H12N4O3S/c1-10(15-18-14(20-23-15)13-3-2-8-24-13)22-12-6-4-11(5-7-12)16-19-17-9-21-16/h2-10H,1H3/t10-/m0/s1
InChIKeyXOWSKTRZQXYTCG-JTQLQIEISA-N
XLogP3.99
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
3-tert-butyl-5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-1,2,4-oxadiazole
CID 95631705
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole
CID 8536931
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 95904221) is 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is C[C@H](Oc1ccc(-c2nnco2)cc1)c1nc(-c2cccs2)no1.
What is the InChIKey of 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is XOWSKTRZQXYTCG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-10(15-18-14(20-23-15)13-3-2-8-24-13)22-12-6-4-11(5-7-12)16-19-17-9-21-16/h2-10H,1H3/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 340.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95904221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).