4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole

C14H16ClNO2 — CID 22485704

IUPAC4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccccc2OC(C)C)nc1CCl
InChIInChI=1S/C14H16ClNO2/c1-9(2)17-13-7-5-4-6-11(13)14-16-12(8-15)10(3)18-14/h4-7,9H,8H2,1-3H3
InChIKeyQBLMPHXFNFKWAS-UHFFFAOYSA-N
MW265.74 g/mol
LogP4.18
Rot. Bonds4

About 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole

4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole (PubChem CID 22485704) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole
PubChem CID22485704
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCc1oc(-c2ccccc2OC(C)C)nc1CCl
InChIInChI=1S/C14H16ClNO2/c1-9(2)17-13-7-5-4-6-11(13)14-16-12(8-15)10(3)18-14/h4-7,9H,8H2,1-3H3
InChIKeyQBLMPHXFNFKWAS-UHFFFAOYSA-N
XLogP4.18
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 54.18
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)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole (CID 22485704) is 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole is Cc1oc(-c2ccccc2OC(C)C)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole?
The InChIKey is QBLMPHXFNFKWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9(2)17-13-7-5-4-6-11(13)14-16-12(8-15)10(3)18-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole?
4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole has a molecular weight of 265.74 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-2-(2-propan-2-yloxyphenyl)-1,3-oxazole is sourced from PubChem (CID 22485704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).