4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole

C9H7ClN2O — CID 82125800

IUPAC4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
SMILESClCc1coc(-c2cccnc2)n1
InChIInChI=1S/C9H7ClN2O/c10-4-8-6-13-9(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2
InChIKeyQPCJIMQDKYEDQI-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.48
Rot. Bonds2

About 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole

4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole (PubChem CID 82125800) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
PubChem CID82125800
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole
SMILESClCc1coc(-c2cccnc2)n1
InChIInChI=1S/C9H7ClN2O/c10-4-8-6-13-9(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2
InChIKeyQPCJIMQDKYEDQI-UHFFFAOYSA-N
XLogP2.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole (CID 82125800) is 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole is ClCc1coc(-c2cccnc2)n1.
What is the InChIKey of 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole?
The InChIKey is QPCJIMQDKYEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-4-8-6-13-9(12-8)7-2-1-3-11-5-7/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole?
4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole has a molecular weight of 194.62 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 82125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).