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

C13H14N6O2S — CID 9231117

IUPAC2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)Sc3nnnn3C)o2)cc1
InChIInChI=1S/C13H14N6O2S/c1-8(22-13-16-17-18-19(13)2)11-14-15-12(21-11)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3/t8-/m1/s1
InChIKeyFFCXAEWAAWZPNT-MRVPVSSYSA-N
MW318.36 g/mol
LogP2.12
Rot. Bonds5

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

2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole (PubChem CID 9231117) has the molecular formula C13H14N6O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
PubChem CID9231117
Molecular FormulaC13H14N6O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)Sc3nnnn3C)o2)cc1
InChIInChI=1S/C13H14N6O2S/c1-8(22-13-16-17-18-19(13)2)11-14-15-12(21-11)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3/t8-/m1/s1
InChIKeyFFCXAEWAAWZPNT-MRVPVSSYSA-N
XLogP2.12
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8631512
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977
2-(4-methoxyphenyl)-5-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethyl]-1,3,4-oxadiazole
CID 41319912
2-[1-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43037199
5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 9199584
2-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24579650
2-[(1S)-1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629997
2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24623096
2-(4-methoxyphenyl)-5-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 43037201

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole (CID 9231117) is 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@@H](C)Sc3nnnn3C)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole?
The InChIKey is FFCXAEWAAWZPNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14N6O2S/c1-8(22-13-16-17-18-19(13)2)11-14-15-12(21-11)9-4-6-10(20-3)7-5-9/h4-8H,1-3H3/t8-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole has a molecular weight of 318.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9231117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).