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

C5H6ClNO — CID 22081016

IUPAC2-(chloromethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(CCl)o1
InChIInChI=1S/C5H6ClNO/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3
InChIKeyNHBCFSWIRRZFRU-UHFFFAOYSA-N
MW131.56 g/mol
LogP1.72
Rot. Bonds1

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

2-(chloromethyl)-5-methyl-1,3-oxazole (PubChem CID 22081016) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1,3-oxazole
PubChem CID22081016
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name2-(chloromethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(CCl)o1
InChIInChI=1S/C5H6ClNO/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3
InChIKeyNHBCFSWIRRZFRU-UHFFFAOYSA-N
XLogP1.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 51.72
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

2,5-Dimethyloxazole
CID 89961
5-Ethyl-2-methyloxazole
CID 528407
2-Ethyl-5-methyloxazole
CID 528403
5-Methyl-2-propyloxazole
CID 529034
5-(Chloromethyl)-1,3-oxazole
CID 15290880
5-tert-Butyl-2-(chloromethyl)-1,3-oxazole
CID 12968974
5-(Chloromethyl)-2-methyl-1,3-oxazole
CID 22052874
(5-Methyl-1,3-Oxazol-2-Yl)Methanamine
CID 24254960
2-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 54593132
2-(Chloromethyl)-5-ethyl-1,3-oxazole
CID 54595701
5-(Chloromethyl)-2-ethyl-1,3-oxazole
CID 67257833
5-Chloromethyl-2-isopropyloxazole
CID 67358147

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1,3-oxazole (CID 22081016) is 2-(chloromethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1,3-oxazole is Cc1cnc(CCl)o1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1,3-oxazole?
The InChIKey is NHBCFSWIRRZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1,3-oxazole?
2-(chloromethyl)-5-methyl-1,3-oxazole has a molecular weight of 131.56 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 22081016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).