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

C8H12ClNO2 — CID 65179822

IUPAC2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole
SMILESCCOCc1cnc(CCCl)o1
InChIInChI=1S/C8H12ClNO2/c1-2-11-6-7-5-10-8(12-7)3-4-9/h5H,2-4,6H2,1H3
InChIKeyINNCTLPUQKWIGS-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.99
Rot. Bonds5

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

2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole (PubChem CID 65179822) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole
PubChem CID65179822
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole
SMILESCCOCc1cnc(CCCl)o1
InChIInChI=1S/C8H12ClNO2/c1-2-11-6-7-5-10-8(12-7)3-4-9/h5H,2-4,6H2,1H3
InChIKeyINNCTLPUQKWIGS-UHFFFAOYSA-N
XLogP1.99
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(ethoxymethyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183157
N-[[5-(ethoxymethyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184149
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
CID 65180053
5-(bromomethyl)-2-propyl-1,3-oxazole
CID 165441984
2,5-dipentyl-1,3-oxazole
CID 67264472
2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
CID 103213141
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
2-(5-propyl-1,3-oxazol-2-yl)ethanamine
CID 65178585
2-(5-ethyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 66588553
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
CID 112605694

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole (CID 65179822) is 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole is CCOCc1cnc(CCCl)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole?
The InChIKey is INNCTLPUQKWIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-2-11-6-7-5-10-8(12-7)3-4-9/h5H,2-4,6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole has a molecular weight of 189.64 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(ethoxymethyl)-1,3-oxazole is sourced from PubChem (CID 65179822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).