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

C8H12ClNO — CID 119031678

IUPAC5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole
SMILESCCCc1nc(C)c(CCl)o1
InChIInChI=1S/C8H12ClNO/c1-3-4-8-10-6(2)7(5-9)11-8/h3-5H2,1-2H3
InChIKeyIECCZCMVYLINDR-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.67
Rot. Bonds3

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

5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole (PubChem CID 119031678) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole
PubChem CID119031678
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole
SMILESCCCc1nc(C)c(CCl)o1
InChIInChI=1S/C8H12ClNO/c1-3-4-8-10-6(2)7(5-9)11-8/h3-5H2,1-2H3
InChIKeyIECCZCMVYLINDR-UHFFFAOYSA-N
XLogP2.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.67
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 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole (CID 119031678) is 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole is CCCc1nc(C)c(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole?
The InChIKey is IECCZCMVYLINDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-3-4-8-10-6(2)7(5-9)11-8/h3-5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole?
5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole has a molecular weight of 173.64 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 119031678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).