3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole

C16H13ClN2O2 — CID 141170970

IUPAC3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole
SMILESClc1cccc(COc2ccc(Cc3ccon3)cc2)n1
InChIInChI=1S/C16H13ClN2O2/c17-16-3-1-2-14(18-16)11-20-15-6-4-12(5-7-15)10-13-8-9-21-19-13/h1-9H,10-11H2
InChIKeyGLAVPAVVUYNGJK-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.89
Rot. Bonds5

About 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole

3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole (PubChem CID 141170970) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole
PubChem CID141170970
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole
SMILESClc1cccc(COc2ccc(Cc3ccon3)cc2)n1
InChIInChI=1S/C16H13ClN2O2/c17-16-3-1-2-14(18-16)11-20-15-6-4-12(5-7-15)10-13-8-9-21-19-13/h1-9H,10-11H2
InChIKeyGLAVPAVVUYNGJK-UHFFFAOYSA-N
XLogP3.89
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole (CID 141170970) is 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole is Clc1cccc(COc2ccc(Cc3ccon3)cc2)n1.
What is the InChIKey of 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole?
The InChIKey is GLAVPAVVUYNGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-16-3-1-2-14(18-16)11-20-15-6-4-12(5-7-15)10-13-8-9-21-19-13/h1-9H,10-11H2.
What are the key properties of 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole?
3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole has a molecular weight of 300.75 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazole is sourced from PubChem (CID 141170970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).