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

C10H14ClNO — CID 164660300

IUPAC2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole
SMILESCC1CC(c2cnc(CCCl)o2)C1
InChIInChI=1S/C10H14ClNO/c1-7-4-8(5-7)9-6-12-10(13-9)2-3-11/h6-8H,2-5H2,1H3
InChIKeyOCUAVKOEARSMMA-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.97
Rot. Bonds3

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

2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole (PubChem CID 164660300) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole
PubChem CID164660300
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole
SMILESCC1CC(c2cnc(CCCl)o2)C1
InChIInChI=1S/C10H14ClNO/c1-7-4-8(5-7)9-6-12-10(13-9)2-3-11/h6-8H,2-5H2,1H3
InChIKeyOCUAVKOEARSMMA-UHFFFAOYSA-N
XLogP2.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.97
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-(3-methylcyclobutyl)-1,3-oxazol-2-yl]ethanamine
CID 164660372
5-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65179762
2-(3-chloropropyl)-5-(2-methyloxolan-3-yl)-1,3-oxazole
CID 79763287
2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole
CID 107185054
2-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 81327215
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
CID 65180053
2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
CID 65180294
3-(5-cycloheptyl-1,3-oxazol-2-yl)propanoic acid
CID 115042041
N-[3-[5-(5-methyloxolan-3-yl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114823715
3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
CID 115034079
2-[2-(3-chloropropyl)-1,3-oxazol-5-yl]thiane 1,1-dioxide
CID 104522599

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole (CID 164660300) is 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole is CC1CC(c2cnc(CCCl)o2)C1.
What is the InChIKey of 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole?
The InChIKey is OCUAVKOEARSMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-4-8(5-7)9-6-12-10(13-9)2-3-11/h6-8H,2-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole has a molecular weight of 199.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole is sourced from PubChem (CID 164660300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).