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

C12H18ClNO — CID 114459222

IUPAC2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
SMILESClCc1ncc(CC2CCCCCC2)o1
InChIInChI=1S/C12H18ClNO/c13-8-12-14-9-11(15-12)7-10-5-3-1-2-4-6-10/h9-10H,1-8H2
InChIKeyRYLSMKXOSVMUOH-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.93
Rot. Bonds3

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

2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole (PubChem CID 114459222) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
PubChem CID114459222
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
SMILESClCc1ncc(CC2CCCCCC2)o1
InChIInChI=1S/C12H18ClNO/c13-8-12-14-9-11(15-12)7-10-5-3-1-2-4-6-10/h9-10H,1-8H2
InChIKeyRYLSMKXOSVMUOH-UHFFFAOYSA-N
XLogP3.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.93
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-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
CID 65180053
2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178972
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114459249
N-[2-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182633
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
CID 165442391
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 114459250
N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182513
N-[[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183874
2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
CID 103162193
[2-(oxan-4-ylmethyl)-1,3-oxazol-5-yl]methanol
CID 115085348
2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
CID 119055129

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole (CID 114459222) is 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole is ClCc1ncc(CC2CCCCCC2)o1.
What is the InChIKey of 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole?
The InChIKey is RYLSMKXOSVMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c13-8-12-14-9-11(15-12)7-10-5-3-1-2-4-6-10/h9-10H,1-8H2.
What are the key properties of 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole?
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole has a molecular weight of 227.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole is sourced from PubChem (CID 114459222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).