3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole

C20H26N4O2S — CID 95856201

IUPAC3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
SMILESCc1cc(-c2snnc2[C@H]2CCCN(CC[C@@H](C)c3ccc(C)o3)C2)on1
InChIInChI=1S/C20H26N4O2S/c1-13(17-7-6-15(3)25-17)8-10-24-9-4-5-16(12-24)19-20(27-23-21-19)18-11-14(2)22-26-18/h6-7,11,13,16H,4-5,8-10,12H2,1-3H3/t13-,16+/m1/s1
InChIKeyGYYQDWYCEHWADR-CJNGLKHVSA-N
MW386.52 g/mol
LogP4.78
Rot. Bonds6

About 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole

3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole (PubChem CID 95856201) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
PubChem CID95856201
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
SMILESCc1cc(-c2snnc2[C@H]2CCCN(CC[C@@H](C)c3ccc(C)o3)C2)on1
InChIInChI=1S/C20H26N4O2S/c1-13(17-7-6-15(3)25-17)8-10-24-9-4-5-16(12-24)19-20(27-23-21-19)18-11-14(2)22-26-18/h6-7,11,13,16H,4-5,8-10,12H2,1-3H3/t13-,16+/m1/s1
InChIKeyGYYQDWYCEHWADR-CJNGLKHVSA-N
XLogP4.78
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 92554129
3-methyl-5-[4-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 110237198
5-[4-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237190
4-ethyl-3-methyl-5-[4-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95852323
5-[4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237195
5-[4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 95856203
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
CID 92554125
[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
5-[4-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670063
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 110242578
5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 74239558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole (CID 95856201) is 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole is Cc1cc(-c2snnc2[C@H]2CCCN(CC[C@@H](C)c3ccc(C)o3)C2)on1.
What is the InChIKey of 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
The InChIKey is GYYQDWYCEHWADR-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13(17-7-6-15(3)25-17)8-10-24-9-4-5-16(12-24)19-20(27-23-21-19)18-11-14(2)22-26-18/h6-7,11,13,16H,4-5,8-10,12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole?
3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole has a molecular weight of 386.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 95856201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).