2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine

C11H11Cl2N3O2 — CID 167784870

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESClc1cnc(OCCNCc2ccon2)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O2/c12-8-5-10(13)11(15-6-8)17-4-2-14-7-9-1-3-18-16-9/h1,3,5-6,14H,2,4,7H2
InChIKeyDNIAHVKYBREWPE-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.55
Rot. Bonds6

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 167784870) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID167784870
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESClc1cnc(OCCNCc2ccon2)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3O2/c12-8-5-10(13)11(15-6-8)17-4-2-14-7-9-1-3-18-16-9/h1,3,5-6,14H,2,4,7H2
InChIKeyDNIAHVKYBREWPE-UHFFFAOYSA-N
XLogP2.55
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 167784870) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine is Clc1cnc(OCCNCc2ccon2)c(Cl)c1.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is DNIAHVKYBREWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-8-5-10(13)11(15-6-8)17-4-2-14-7-9-1-3-18-16-9/h1,3,5-6,14H,2,4,7H2.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine?
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 288.13 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 167784870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).