3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one

C17H19N3O2 — CID 75497970

IUPAC3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cncc(NC(C)c2ccc(N3CCOC3=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-12-9-15(11-18-10-12)19-13(2)14-3-5-16(6-4-14)20-7-8-22-17(20)21/h3-6,9-11,13,19H,7-8H2,1-2H3
InChIKeyJDJBXAZATQUNMU-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.52
Rot. Bonds4

About 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 75497970) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID75497970
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cncc(NC(C)c2ccc(N3CCOC3=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-12-9-15(11-18-10-12)19-13(2)14-3-5-16(6-4-14)20-7-8-22-17(20)21/h3-6,9-11,13,19H,7-8H2,1-2H3
InChIKeyJDJBXAZATQUNMU-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 75497970) is 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one is Cc1cncc(NC(C)c2ccc(N3CCOC3=O)cc2)c1.
What is the InChIKey of 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JDJBXAZATQUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-9-15(11-18-10-12)19-13(2)14-3-5-16(6-4-14)20-7-8-22-17(20)21/h3-6,9-11,13,19H,7-8H2,1-2H3.
What are the key properties of 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 75497970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).