3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one

C18H27N3O2 — CID 71988894

IUPAC3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESCN(C)c1cccc(C2CCCN2CCCN2CCOC2=O)c1
InChIInChI=1S/C18H27N3O2/c1-19(2)16-7-3-6-15(14-16)17-8-4-9-20(17)10-5-11-21-12-13-23-18(21)22/h3,6-7,14,17H,4-5,8-13H2,1-2H3
InChIKeyNODRSQNKFREKLV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.73
Rot. Bonds6

About 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one

3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one (PubChem CID 71988894) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one
PubChem CID71988894
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESCN(C)c1cccc(C2CCCN2CCCN2CCOC2=O)c1
InChIInChI=1S/C18H27N3O2/c1-19(2)16-7-3-6-15(14-16)17-8-4-9-20(17)10-5-11-21-12-13-23-18(21)22/h3,6-7,14,17H,4-5,8-13H2,1-2H3
InChIKeyNODRSQNKFREKLV-UHFFFAOYSA-N
XLogP2.73
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one (CID 71988894) is 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one is CN(C)c1cccc(C2CCCN2CCCN2CCOC2=O)c1.
What is the InChIKey of 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The InChIKey is NODRSQNKFREKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19(2)16-7-3-6-15(14-16)17-8-4-9-20(17)10-5-11-21-12-13-23-18(21)22/h3,6-7,14,17H,4-5,8-13H2,1-2H3.
What are the key properties of 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one?
3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71988894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).