3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one

C17H23N3O3 — CID 20702403

IUPAC3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one
SMILESCC(=O)CNC1CN(c2cc(C)c(C3CNC3)c(C)c2)C(=O)O1
InChIInChI=1S/C17H23N3O3/c1-10-4-14(5-11(2)16(10)13-7-18-8-13)20-9-15(23-17(20)22)19-6-12(3)21/h4-5,13,15,18-19H,6-9H2,1-3H3
InChIKeyYEQLZUJUJXHCKD-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.45
Rot. Bonds5

About 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one

3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one (PubChem CID 20702403) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one
PubChem CID20702403
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one
SMILESCC(=O)CNC1CN(c2cc(C)c(C3CNC3)c(C)c2)C(=O)O1
InChIInChI=1S/C17H23N3O3/c1-10-4-14(5-11(2)16(10)13-7-18-8-13)20-9-15(23-17(20)22)19-6-12(3)21/h4-5,13,15,18-19H,6-9H2,1-3H3
InChIKeyYEQLZUJUJXHCKD-UHFFFAOYSA-N
XLogP1.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one (CID 20702403) is 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one is CC(=O)CNC1CN(c2cc(C)c(C3CNC3)c(C)c2)C(=O)O1.
What is the InChIKey of 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one?
The InChIKey is YEQLZUJUJXHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-4-14(5-11(2)16(10)13-7-18-8-13)20-9-15(23-17(20)22)19-6-12(3)21/h4-5,13,15,18-19H,6-9H2,1-3H3.
What are the key properties of 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one?
3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-3-yl)-3,5-dimethylphenyl]-5-(2-oxopropylamino)-1,3-oxazolidin-2-one is sourced from PubChem (CID 20702403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).