5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

C14H18N4O2 — CID 95780160

IUPAC5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)no1
InChIInChI=1S/C14H18N4O2/c1-2-11(13-15-14(20-17-13)10-3-4-10)8-18(6-1)9-12-5-7-19-16-12/h5,7,10-11H,1-4,6,8-9H2/t11-/m0/s1
InChIKeyZUSBOSKJXPUSDK-NSHDSACASA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds4

About 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95780160) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95780160
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESc1cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)no1
InChIInChI=1S/C14H18N4O2/c1-2-11(13-15-14(20-17-13)10-3-4-10)8-18(6-1)9-12-5-7-19-16-12/h5,7,10-11H,1-4,6,8-9H2/t11-/m0/s1
InChIKeyZUSBOSKJXPUSDK-NSHDSACASA-N
XLogP2.31
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 95780111
2-cyclopropyl-5-[[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95780156
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120852446
5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97217338
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 75373746
3-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 166211745
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 71928571
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
CID 95780115
5-cyclopropyl-3-[(3S)-1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 96512014
[1-[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
CID 45252929
2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 100837584
3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 138057970

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole (CID 95780160) is 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is c1cc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)no1.
What is the InChIKey of 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZUSBOSKJXPUSDK-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-11(13-15-14(20-17-13)10-3-4-10)8-18(6-1)9-12-5-7-19-16-12/h5,7,10-11H,1-4,6,8-9H2/t11-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 274.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95780160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).