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

C23H27N5O3 — CID 110221259

IUPAC2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1cnc(-c2nc(C3CCCN(C(=O)C(C)Oc4ccc(C)c(C)c4)C3)no2)cn1
InChIInChI=1S/C23H27N5O3/c1-14-7-8-19(10-15(14)2)30-17(4)23(29)28-9-5-6-18(13-28)21-26-22(31-27-21)20-12-24-16(3)11-25-20/h7-8,10-12,17-18H,5-6,9,13H2,1-4H3
InChIKeyVVGGUGKCTMPVLE-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.63
Rot. Bonds5

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

2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 110221259) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID110221259
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCc1cnc(-c2nc(C3CCCN(C(=O)C(C)Oc4ccc(C)c(C)c4)C3)no2)cn1
InChIInChI=1S/C23H27N5O3/c1-14-7-8-19(10-15(14)2)30-17(4)23(29)28-9-5-6-18(13-28)21-26-22(31-27-21)20-12-24-16(3)11-25-20/h7-8,10-12,17-18H,5-6,9,13H2,1-4H3
InChIKeyVVGGUGKCTMPVLE-UHFFFAOYSA-N
XLogP3.63
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221251
(4,5-dimethylthiophen-3-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221258
3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92562032
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68967446
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734189
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
2-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24695297
(2R)-1-[(3R)-3-[(5S,7R)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(3,4-dimethylphenoxy)propan-1-one
CID 136860949
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
CID 87005926
4-[1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 71926860

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (CID 110221259) is 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is Cc1cnc(-c2nc(C3CCCN(C(=O)C(C)Oc4ccc(C)c(C)c4)C3)no2)cn1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is VVGGUGKCTMPVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-7-8-19(10-15(14)2)30-17(4)23(29)28-9-5-6-18(13-28)21-26-22(31-27-21)20-12-24-16(3)11-25-20/h7-8,10-12,17-18H,5-6,9,13H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 421.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110221259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).