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

C14H16N6OS2 — CID 94500022

IUPAC3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Sc1nnnn1CCc1cccs1)c1nc(C2CC2)no1
InChIInChI=1S/C14H16N6OS2/c1-9(13-15-12(17-21-13)10-4-5-10)23-14-16-18-19-20(14)7-6-11-3-2-8-22-11/h2-3,8-10H,4-7H2,1H3/t9-/m1/s1
InChIKeyLOZACONAYAFAAF-SECBINFHSA-N
MW348.46 g/mol
LogP3.09
Rot. Bonds7

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

3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole (PubChem CID 94500022) has the molecular formula C14H16N6OS2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
PubChem CID94500022
Molecular FormulaC14H16N6OS2
Molecular Weight348.46 g/mol
Exact Mass348.08
IUPAC Name3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Sc1nnnn1CCc1cccs1)c1nc(C2CC2)no1
InChIInChI=1S/C14H16N6OS2/c1-9(13-15-12(17-21-13)10-4-5-10)23-14-16-18-19-20(14)7-6-11-3-2-8-22-11/h2-3,8-10H,4-7H2,1H3/t9-/m1/s1
InChIKeyLOZACONAYAFAAF-SECBINFHSA-N
XLogP3.09
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-cyclopropyl-5-[(1R)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477570
3-cyclopropyl-5-[(1S)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477569
1-[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 17437207
1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 40798767
3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 56781345
2-phenyl-4-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 24574257
3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60514367
3-(2-bromophenyl)-5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 55840323
5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 24574301
3-cyclopropyl-5-[1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 87018076
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
3-cyclopropyl-5-[1-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60513503

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole (CID 94500022) is 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole is C[C@@H](Sc1nnnn1CCc1cccs1)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is LOZACONAYAFAAF-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N6OS2/c1-9(13-15-12(17-21-13)10-4-5-10)23-14-16-18-19-20(14)7-6-11-3-2-8-22-11/h2-3,8-10H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 348.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94500022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).