2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H14N6O2S2 — CID 9037042

IUPAC2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1-n1nnnc1S[C@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14N6O2S2/c1-10(14-17-18-15(24-14)13-8-5-9-25-13)26-16-19-20-21-22(16)11-6-3-4-7-12(11)23-2/h3-10H,1-2H3/t10-/m1/s1
InChIKeyUSLWLWMFBXCKAJ-SNVBAGLBSA-N
MW386.46 g/mol
LogP3.64
Rot. Bonds6

About 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 9037042) has the molecular formula C16H14N6O2S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID9037042
Molecular FormulaC16H14N6O2S2
Molecular Weight386.46 g/mol
Exact Mass386.06
IUPAC Name2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCOc1ccccc1-n1nnnc1S[C@H](C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H14N6O2S2/c1-10(14-17-18-15(24-14)13-8-5-9-25-13)26-16-19-20-21-22(16)11-6-3-4-7-12(11)23-2/h3-10H,1-2H3/t10-/m1/s1
InChIKeyUSLWLWMFBXCKAJ-SNVBAGLBSA-N
XLogP3.64
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824820
2-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824444
2-[1-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 43031628
2-thiophen-2-yl-5-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 41143175
5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole
CID 60516176
2-[(1R)-1-(3-methoxyphenyl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 39044732
3-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 7702702
2-[(1S)-1-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 41038627
3-(2-fluorophenyl)-5-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 7705382
2-methoxy-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 41042211
5-[(1S)-1-(2,4-difluorophenyl)ethyl]sulfanyl-1-(2-methoxyphenyl)tetrazole
CID 52727611
2-[1-(1,5-diphenylimidazol-2-yl)sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18271549

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 9037042) is 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is COc1ccccc1-n1nnnc1S[C@H](C)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is USLWLWMFBXCKAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14N6O2S2/c1-10(14-17-18-15(24-14)13-8-5-9-25-13)26-16-19-20-21-22(16)11-6-3-4-7-12(11)23-2/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 386.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 9037042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).