3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

C19H21N5O3 — CID 119065733

IUPAC3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cccc(-c2noc(CCC(=O)N3CCCC(c4ncon4)C3)n2)c1
InChIInChI=1S/C19H21N5O3/c1-13-4-2-5-14(10-13)19-21-16(27-23-19)7-8-17(25)24-9-3-6-15(11-24)18-20-12-26-22-18/h2,4-5,10,12,15H,3,6-9,11H2,1H3
InChIKeyHVUQEYKFAOFEOJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.77
Rot. Bonds5

About 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 119065733) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID119065733
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cccc(-c2noc(CCC(=O)N3CCCC(c4ncon4)C3)n2)c1
InChIInChI=1S/C19H21N5O3/c1-13-4-2-5-14(10-13)19-21-16(27-23-19)7-8-17(25)24-9-3-6-15(11-24)18-20-12-26-22-18/h2,4-5,10,12,15H,3,6-9,11H2,1H3
InChIKeyHVUQEYKFAOFEOJ-UHFFFAOYSA-N
XLogP2.77
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 42760280
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one
CID 42760296
6-amino-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 3334833
4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136803023
2-methoxy-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 3879155
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 3593646
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 119062299
[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43929878
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 146120983
3-methyl-8-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978257
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488103

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one (CID 119065733) is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is Cc1cccc(-c2noc(CCC(=O)N3CCCC(c4ncon4)C3)n2)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HVUQEYKFAOFEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-4-2-5-14(10-13)19-21-16(27-23-19)7-8-17(25)24-9-3-6-15(11-24)18-20-12-26-22-18/h2,4-5,10,12,15H,3,6-9,11H2,1H3.
What are the key properties of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one?
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 367.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119065733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).