ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate

C11H15F2NO4 — CID 103199167

IUPACethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CCCOC)nc1C(F)F
InChIInChI=1S/C11H15F2NO4/c1-3-17-11(15)9-8(10(12)13)14-7(18-9)5-4-6-16-2/h10H,3-6H2,1-2H3
InChIKeyBEXSSFQVCFZSQT-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.37
Rot. Bonds7

About ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate

ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199167) has the molecular formula C11H15F2NO4 and a molecular weight of 263.24 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
PubChem CID103199167
Molecular FormulaC11H15F2NO4
Molecular Weight263.24 g/mol
Exact Mass263.10
IUPAC Nameethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(CCCOC)nc1C(F)F
InChIInChI=1S/C11H15F2NO4/c1-3-17-11(15)9-8(10(12)13)14-7(18-9)5-4-6-16-2/h10H,3-6H2,1-2H3
InChIKeyBEXSSFQVCFZSQT-UHFFFAOYSA-N
XLogP2.37
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate (CID 103199167) is ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(CCCOC)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate?
The InChIKey is BEXSSFQVCFZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4/c1-3-17-11(15)9-8(10(12)13)14-7(18-9)5-4-6-16-2/h10H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate?
ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate has a molecular weight of 263.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-2-(3-methoxypropyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).