3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole

C16H22N2O2 — CID 125175909

IUPAC3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCCN2CCCc2ccco2)no1
InChIInChI=1S/C16H22N2O2/c1-13-12-15(17-20-13)16-8-2-3-9-18(16)10-4-6-14-7-5-11-19-14/h5,7,11-12,16H,2-4,6,8-10H2,1H3/t16-/m0/s1
InChIKeyKQCQECIBFLDAHY-INIZCTEOSA-N
MW274.36 g/mol
LogP3.74
Rot. Bonds5

About 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole

3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 125175909) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
PubChem CID125175909
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc([C@@H]2CCCCN2CCCc2ccco2)no1
InChIInChI=1S/C16H22N2O2/c1-13-12-15(17-20-13)16-8-2-3-9-18(16)10-4-6-14-7-5-11-19-14/h5,7,11-12,16H,2-4,6,8-10H2,1H3/t16-/m0/s1
InChIKeyKQCQECIBFLDAHY-INIZCTEOSA-N
XLogP3.74
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166536
N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95288889
5-methyl-3-[1-(pyridin-3-ylmethyl)azepan-2-yl]-1,2-oxazole
CID 110225930
3-[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-2-yl]-5-methyl-1,2-oxazole
CID 91833913
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 99932525
4-[[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74249790
2-[5-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99946574
(2S)-1-butyl-2-(furan-2-yl)piperidine
CID 124500858
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole (CID 125175909) is 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole is Cc1cc([C@@H]2CCCCN2CCCc2ccco2)no1.
What is the InChIKey of 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is KQCQECIBFLDAHY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13-12-15(17-20-13)16-8-2-3-9-18(16)10-4-6-14-7-5-11-19-14/h5,7,11-12,16H,2-4,6,8-10H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole?
3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 274.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[3-(furan-2-yl)propyl]piperidin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 125175909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).