chloromethylbenzene;1,2-oxazole

C10H10ClNO — CID 162034116

IUPACchloromethylbenzene;1,2-oxazole
SMILESClCc1ccccc1.c1cnoc1
InChIInChI=1S/C7H7Cl.C3H3NO/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-5H,6H2;1-3H
InChIKeyYWKMSNGCAUYVRB-UHFFFAOYSA-N
MW195.65 g/mol
LogP3.10
Rot. Bonds1

About chloromethylbenzene;1,2-oxazole

chloromethylbenzene;1,2-oxazole (PubChem CID 162034116) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is chloromethylbenzene;1,2-oxazole.

Molecular Properties

Compound Namechloromethylbenzene;1,2-oxazole
PubChem CID162034116
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Namechloromethylbenzene;1,2-oxazole
SMILESClCc1ccccc1.c1cnoc1
InChIInChI=1S/C7H7Cl.C3H3NO/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-5H,6H2;1-3H
InChIKeyYWKMSNGCAUYVRB-UHFFFAOYSA-N
XLogP3.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;1,2-oxazole?
The IUPAC name of chloromethylbenzene;1,2-oxazole (CID 162034116) is chloromethylbenzene;1,2-oxazole.
What is the SMILES notation for chloromethylbenzene;1,2-oxazole?
The canonical SMILES for chloromethylbenzene;1,2-oxazole is ClCc1ccccc1.c1cnoc1.
What is the InChIKey of chloromethylbenzene;1,2-oxazole?
The InChIKey is YWKMSNGCAUYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C3H3NO/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-5H,6H2;1-3H.
What are the key properties of chloromethylbenzene;1,2-oxazole?
chloromethylbenzene;1,2-oxazole has a molecular weight of 195.65 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;1,2-oxazole is sourced from PubChem (CID 162034116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).