(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one

C15H19N3O3S — CID 7374160

IUPAC(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C15H19N3O3S/c1-10-5-7-18(8-6-10)14(19)11(2)22-15-17-16-13(21-15)12-4-3-9-20-12/h3-4,9-11H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyYCNNEBQAVLOZBG-NSHDSACASA-N
MW321.40 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one

(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 7374160) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID7374160
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C15H19N3O3S/c1-10-5-7-18(8-6-10)14(19)11(2)22-15-17-16-13(21-15)12-4-3-9-20-12/h3-4,9-11H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyYCNNEBQAVLOZBG-NSHDSACASA-N
XLogP3.07
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-cyclopentyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2472133
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CID 7374115
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylpropanamide
CID 2479761
(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 7953978
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 7953977
(2S)-N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808607
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7556794
N-(tert-butylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18091436
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41074343
1-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 42986060
N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3589077
2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 46688801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 7374160) is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccco3)o2)CC1.
What is the InChIKey of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is YCNNEBQAVLOZBG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10-5-7-18(8-6-10)14(19)11(2)22-15-17-16-13(21-15)12-4-3-9-20-12/h3-4,9-11H,5-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one?
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 321.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 7374160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).