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

C16H14N6OS — CID 95146280

IUPAC2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnn([C@@H](C)c3nnc(-c4cccs4)o3)n2)cc1
InChIInChI=1S/C16H14N6OS/c1-10-5-7-12(8-6-10)14-17-21-22(20-14)11(2)15-18-19-16(23-15)13-4-3-9-24-13/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeyVKHFUOZDOCCDAA-NSHDSACASA-N
MW338.40 g/mol
LogP3.37
Rot. Bonds4

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

2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 95146280) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID95146280
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnn([C@@H](C)c3nnc(-c4cccs4)o3)n2)cc1
InChIInChI=1S/C16H14N6OS/c1-10-5-7-12(8-6-10)14-17-21-22(20-14)11(2)15-18-19-16(23-15)13-4-3-9-24-13/h3-9,11H,1-2H3/t11-/m0/s1
InChIKeyVKHFUOZDOCCDAA-NSHDSACASA-N
XLogP3.37
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 41041689
2-[1-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46824444
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98684296
2-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46823064
2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95293704
2-methyl-6-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 95781790
(2S)-1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312493
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
(2R)-1-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol
CID 95312496
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 55506139
oxalic acid;2-[1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 17402658
2-[(1S)-1-(2-chlorophenyl)ethyl]-5-(4-methylphenyl)tetrazole
CID 51683474

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 95146280) is 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnn([C@@H](C)c3nnc(-c4cccs4)o3)n2)cc1.
What is the InChIKey of 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is VKHFUOZDOCCDAA-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N6OS/c1-10-5-7-12(8-6-10)14-17-21-22(20-14)11(2)15-18-19-16(23-15)13-4-3-9-24-13/h3-9,11H,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 338.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[5-(4-methylphenyl)tetrazol-2-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95146280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).