5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one

C15H19F2N3O2 — CID 22943656

IUPAC5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2cc(F)c(N3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19F2N3O2/c16-12-6-10(20-9-11(8-18)22-15(20)21)7-13(17)14(12)19-4-2-1-3-5-19/h6-7,11H,1-5,8-9,18H2
InChIKeyOCQTYEMIKFLCFE-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.24
Rot. Bonds3

About 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 22943656) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID22943656
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(c2cc(F)c(N3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19F2N3O2/c16-12-6-10(20-9-11(8-18)22-15(20)21)7-13(17)14(12)19-4-2-1-3-5-19/h6-7,11H,1-5,8-9,18H2
InChIKeyOCQTYEMIKFLCFE-UHFFFAOYSA-N
XLogP2.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one (CID 22943656) is 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one is NCC1CN(c2cc(F)c(N3CCCCC3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is OCQTYEMIKFLCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-12-6-10(20-9-11(8-18)22-15(20)21)7-13(17)14(12)19-4-2-1-3-5-19/h6-7,11H,1-5,8-9,18H2.
What are the key properties of 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 311.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(3,5-difluoro-4-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22943656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).