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

C12H18ClNO — CID 65180053

IUPAC2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
SMILESClCCc1ncc(CC2CCCCC2)o1
InChIInChI=1S/C12H18ClNO/c13-7-6-12-14-9-11(15-12)8-10-4-2-1-3-5-10/h9-10H,1-8H2
InChIKeyDHFMIOILOJDVPP-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.58
Rot. Bonds4

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

2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole (PubChem CID 65180053) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
PubChem CID65180053
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
SMILESClCCc1ncc(CC2CCCCC2)o1
InChIInChI=1S/C12H18ClNO/c13-7-6-12-14-9-11(15-12)8-10-4-2-1-3-5-10/h9-10H,1-8H2
InChIKeyDHFMIOILOJDVPP-UHFFFAOYSA-N
XLogP3.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.58
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 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole (CID 65180053) is 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole is ClCCc1ncc(CC2CCCCC2)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole?
The InChIKey is DHFMIOILOJDVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c13-7-6-12-14-9-11(15-12)8-10-4-2-1-3-5-10/h9-10H,1-8H2.
What are the key properties of 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole?
2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole has a molecular weight of 227.73 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole is sourced from PubChem (CID 65180053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).