3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole

C14H22N6O2S — CID 94020570

IUPAC3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H22N6O2S/c1-9(11-15-12(17-22-11)14(2,3)4)23-13-16-18-19-20(13)8-10-6-5-7-21-10/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeySHGYWMBULXIRTH-NXEZZACHSA-N
MW338.44 g/mol
LogP2.39
Rot. Bonds5

About 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole (PubChem CID 94020570) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
PubChem CID94020570
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
SMILESC[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C14H22N6O2S/c1-9(11-15-12(17-22-11)14(2,3)4)23-13-16-18-19-20(13)8-10-6-5-7-21-10/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeySHGYWMBULXIRTH-NXEZZACHSA-N
XLogP2.39
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-5-[1-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 55551034
N-tert-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259252
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 126836605
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine
CID 75866971
(2R)-N-(methylcarbamoyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388385
1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 17398260
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51259176
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
CID 124741283
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole (CID 94020570) is 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole is C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is SHGYWMBULXIRTH-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-9(11-15-12(17-22-11)14(2,3)4)23-13-16-18-19-20(13)8-10-6-5-7-21-10/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 338.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94020570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).