3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one

C18H20N4O3S — CID 92554125

IUPAC3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3ccco3)C2)on1
InChIInChI=1S/C18H20N4O3S/c1-12-10-15(25-20-12)18-17(19-21-26-18)13-4-2-8-22(11-13)16(23)7-6-14-5-3-9-24-14/h3,5,9-10,13H,2,4,6-8,11H2,1H3/t13-/m0/s1
InChIKeyPJMOIYOKIJRPDP-ZDUSSCGKSA-N
MW372.45 g/mol
LogP3.43
Rot. Bonds5

About 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one

3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 92554125) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
PubChem CID92554125
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one
SMILESCc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3ccco3)C2)on1
InChIInChI=1S/C18H20N4O3S/c1-12-10-15(25-20-12)18-17(19-21-26-18)13-4-2-8-22(11-13)16(23)7-6-14-5-3-9-24-14/h3,5,9-10,13H,2,4,6-8,11H2,1H3/t13-/m0/s1
InChIKeyPJMOIYOKIJRPDP-ZDUSSCGKSA-N
XLogP3.43
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95797361
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208
[3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110237217
5-[4-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 92554129
3-methyl-5-[4-[(3S)-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-3-yl]thiadiazol-5-yl]-1,2-oxazole
CID 95856201
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
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
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 110242578
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
5-[4-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]thiadiazol-5-yl]-3-methyl-1,2-oxazole
CID 110237195

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 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) is 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one is Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3ccco3)C2)on1.
What is the InChIKey of 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is PJMOIYOKIJRPDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-10-15(25-20-12)18-17(19-21-26-18)13-4-2-8-22(11-13)16(23)7-6-14-5-3-9-24-14/h3,5,9-10,13H,2,4,6-8,11H2,1H3/t13-/m0/s1.
What are the key properties of 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 372.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92554125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).