2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone

C11H14ClN3O2 — CID 113375668

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone
SMILESCN(CC(=O)N1CCCO1)c1ccc(Cl)cn1
InChIInChI=1S/C11H14ClN3O2/c1-14(10-4-3-9(12)7-13-10)8-11(16)15-5-2-6-17-15/h3-4,7H,2,5-6,8H2,1H3
InChIKeyRIAZUHZATBLWKX-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.34
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone

2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone (PubChem CID 113375668) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone
PubChem CID113375668
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone
SMILESCN(CC(=O)N1CCCO1)c1ccc(Cl)cn1
InChIInChI=1S/C11H14ClN3O2/c1-14(10-4-3-9(12)7-13-10)8-11(16)15-5-2-6-17-15/h3-4,7H,2,5-6,8H2,1H3
InChIKeyRIAZUHZATBLWKX-UHFFFAOYSA-N
XLogP1.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone (CID 113375668) is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone is CN(CC(=O)N1CCCO1)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone?
The InChIKey is RIAZUHZATBLWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-14(10-4-3-9(12)7-13-10)8-11(16)15-5-2-6-17-15/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone?
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone has a molecular weight of 255.70 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 113375668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).