2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole

C10H14ClF2NO2 — CID 103213141

IUPAC2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)COCCc1cnc(CCCCl)o1
InChIInChI=1S/C10H14ClF2NO2/c11-4-1-2-10-14-6-8(16-10)3-5-15-7-9(12)13/h6,9H,1-5,7H2
InChIKeyCHNLBSZGAPARGT-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.67
Rot. Bonds8

About 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole

2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (PubChem CID 103213141) has the molecular formula C10H14ClF2NO2 and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
PubChem CID103213141
Molecular FormulaC10H14ClF2NO2
Molecular Weight253.68 g/mol
Exact Mass253.07
IUPAC Name2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
SMILESFC(F)COCCc1cnc(CCCCl)o1
InChIInChI=1S/C10H14ClF2NO2/c11-4-1-2-10-14-6-8(16-10)3-5-15-7-9(12)13/h6,9H,1-5,7H2
InChIKeyCHNLBSZGAPARGT-UHFFFAOYSA-N
XLogP2.67
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Chloropropyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 65179540
2-(2-Chloroethyl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 65179988
2-(2-Chloroethyl)-5-(3,3,3-trifluoropropyl)-1,3-oxazole
CID 65715252
2-(3-Chloropropyl)-5-(3,3,3-trifluoropropyl)-1,3-oxazole
CID 65715253
2-(Chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213128
2-(Chloromethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
CID 103213129
2-(1-Chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213132
2-(1-Chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
CID 103213133
2-(2-Chloroethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213136
2-(2-Chloroethyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
CID 103213137
2-(3-Chloropropyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213140
[5-[2-(2,2-Difluoroethoxy)ethyl]-1,3-oxazol-2-yl]methanamine
CID 103213144

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole (CID 103213141) is 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is FC(F)COCCc1cnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
The InChIKey is CHNLBSZGAPARGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NO2/c11-4-1-2-10-14-6-8(16-10)3-5-15-7-9(12)13/h6,9H,1-5,7H2.
What are the key properties of 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole?
2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole has a molecular weight of 253.68 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole is sourced from PubChem (CID 103213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).