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

C6H8ClNO — CID 65179585

IUPAC2-(1-chloroethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)Cl)o1
InChIInChI=1S/C6H8ClNO/c1-4-3-8-6(9-4)5(2)7/h3,5H,1-2H3
InChIKeyWUTGCMYSTHBMNH-UHFFFAOYSA-N
MW145.59 g/mol
LogP2.28
Rot. Bonds1

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

2-(1-chloroethyl)-5-methyl-1,3-oxazole (PubChem CID 65179585) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methyl-1,3-oxazole
PubChem CID65179585
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name2-(1-chloroethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)Cl)o1
InChIInChI=1S/C6H8ClNO/c1-4-3-8-6(9-4)5(2)7/h3,5H,1-2H3
InChIKeyWUTGCMYSTHBMNH-UHFFFAOYSA-N
XLogP2.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 52.28
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
2-(Chloromethyl)-5-methyl-1,3-oxazole
CID 22081016
(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

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(1-chloroethyl)-5-methyl-1,3-oxazole (CID 65179585) is 2-(1-chloroethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(1-chloroethyl)-5-methyl-1,3-oxazole is Cc1cnc(C(C)Cl)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-methyl-1,3-oxazole?
The InChIKey is WUTGCMYSTHBMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-4-3-8-6(9-4)5(2)7/h3,5H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-methyl-1,3-oxazole?
2-(1-chloroethyl)-5-methyl-1,3-oxazole has a molecular weight of 145.59 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 65179585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).