3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole

C10H10ClNO — CID 11458249

IUPAC3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESClCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C10H10ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNFPOZCYAWVJLAF-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.74
Rot. Bonds2

About 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole

3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 11458249) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID11458249
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESClCC1=NOC(c2ccccc2)C1
InChIInChI=1S/C10H10ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyNFPOZCYAWVJLAF-UHFFFAOYSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole (CID 11458249) is 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole is ClCC1=NOC(c2ccccc2)C1.
What is the InChIKey of 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NFPOZCYAWVJLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole?
3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 195.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11458249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).