4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C22H27N3O4 — CID 23993543

IUPAC4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C22H27N3O4/c1-3-17-14-28-22(27)25(17)18-9-11-24(12-10-18)20(26)13-19-15(2)29-21(23-19)16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3
InChIKeyOYJDSTCKCSMAEE-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.41
Rot. Bonds5

About 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23993543) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23993543
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1C1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C22H27N3O4/c1-3-17-14-28-22(27)25(17)18-9-11-24(12-10-18)20(26)13-19-15(2)29-21(23-19)16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3
InChIKeyOYJDSTCKCSMAEE-UHFFFAOYSA-N
XLogP3.41
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
(3aS,6aS)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570959
3-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3861438
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55950520
1-(4-acetylpiperazin-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110647873
2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 129469907

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23993543) is 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCC1COC(=O)N1C1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1.
What is the InChIKey of 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is OYJDSTCKCSMAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-17-14-28-22(27)25(17)18-9-11-24(12-10-18)20(26)13-19-15(2)29-21(23-19)16-7-5-4-6-8-16/h4-8,17-18H,3,9-14H2,1-2H3.
What are the key properties of 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 397.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23993543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).