3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

C26H27N3O5 — CID 3820511

IUPAC3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1noc(COc2ccccc2)c1C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C26H27N3O5/c1-18-24(23(34-27-18)17-32-21-10-6-3-7-11-21)25(30)28-14-12-20(13-15-28)29-16-22(33-26(29)31)19-8-4-2-5-9-19/h2-11,20,22H,12-17H2,1H3
InChIKeyUGBJBSKKZMTCRY-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.36
Rot. Bonds6

About 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 3820511) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID3820511
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1noc(COc2ccccc2)c1C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C26H27N3O5/c1-18-24(23(34-27-18)17-32-21-10-6-3-7-11-21)25(30)28-14-12-20(13-15-28)29-16-22(33-26(29)31)19-8-4-2-5-9-19/h2-11,20,22H,12-17H2,1H3
InChIKeyUGBJBSKKZMTCRY-UHFFFAOYSA-N
XLogP4.36
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (CID 3820511) is 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is Cc1noc(COc2ccccc2)c1C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1.
What is the InChIKey of 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UGBJBSKKZMTCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-18-24(23(34-27-18)17-32-21-10-6-3-7-11-21)25(30)28-14-12-20(13-15-28)29-16-22(33-26(29)31)19-8-4-2-5-9-19/h2-11,20,22H,12-17H2,1H3.
What are the key properties of 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 461.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3820511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).