1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

C23H29N3O3 — CID 124959482

IUPAC1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESO=C1CCCCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C23H29N3O3/c27-21-11-5-2-6-12-26(21)17-22(28)25-13-7-10-19(16-25)23-24-15-20(29-23)14-18-8-3-1-4-9-18/h1,3-4,8-9,15,19H,2,5-7,10-14,16-17H2/t19-/m1/s1
InChIKeyGNNKAYHVUOUWBJ-LJQANCHMSA-N
MW395.50 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one

1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one (PubChem CID 124959482) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
PubChem CID124959482
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
SMILESO=C1CCCCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1
InChIInChI=1S/C23H29N3O3/c27-21-11-5-2-6-12-26(21)17-22(28)25-13-7-10-19(16-25)23-24-15-20(29-23)14-18-8-3-1-4-9-18/h1,3-4,8-9,15,19H,2,5-7,10-14,16-17H2/t19-/m1/s1
InChIKeyGNNKAYHVUOUWBJ-LJQANCHMSA-N
XLogP3.37
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one with MolForge

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Related Compounds

1-[2-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124973618
1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124956032
1-[2-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124969994
2-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 124956909
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125006336
2-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 124952695
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
1-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125005494
2-[2-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 129457524
1-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110119676
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one (CID 124959482) is 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one is O=C1CCCCCN1CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1.
What is the InChIKey of 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
The InChIKey is GNNKAYHVUOUWBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-21-11-5-2-6-12-26(21)17-22(28)25-13-7-10-19(16-25)23-24-15-20(29-23)14-18-8-3-1-4-9-18/h1,3-4,8-9,15,19H,2,5-7,10-14,16-17H2/t19-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one?
1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one has a molecular weight of 395.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 124959482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).