1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C17H25N5O2 — CID 95312178

IUPAC1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCC(C)c1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1
InChIInChI=1S/C17H25N5O2/c1-13(2)17-19-15(24-20-17)6-3-7-16(23)21-9-4-5-14(11-21)22-10-8-18-12-22/h8,10,12-14H,3-7,9,11H2,1-2H3/t14-/m0/s1
InChIKeyOBVFVHQSPAAASK-AWEZNQCLSA-N
MW331.42 g/mol
LogP2.58
Rot. Bonds6

About 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 95312178) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID95312178
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCC(C)c1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1
InChIInChI=1S/C17H25N5O2/c1-13(2)17-19-15(24-20-17)6-3-7-16(23)21-9-4-5-14(11-21)22-10-8-18-12-22/h8,10,12-14H,3-7,9,11H2,1-2H3/t14-/m0/s1
InChIKeyOBVFVHQSPAAASK-AWEZNQCLSA-N
XLogP2.58
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95327283
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95314199
1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 86823272
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569090
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569091
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95569054
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 95345962
1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110115055
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55712375
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 95312178) is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one is CC(C)c1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1.
What is the InChIKey of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is OBVFVHQSPAAASK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(2)17-19-15(24-20-17)6-3-7-16(23)21-9-4-5-14(11-21)22-10-8-18-12-22/h8,10,12-14H,3-7,9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 331.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 95312178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).