ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate

C10H14FNO3 — CID 90956075

IUPACethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1C(F)CC
InChIInChI=1S/C10H14FNO3/c1-4-7(11)9-8(10(13)14-5-2)12-6(3)15-9/h7H,4-5H2,1-3H3
InChIKeyOBAMNQJIGYCJNA-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.58
Rot. Bonds4

About ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 90956075) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID90956075
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Nameethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1C(F)CC
InChIInChI=1S/C10H14FNO3/c1-4-7(11)9-8(10(13)14-5-2)12-6(3)15-9/h7H,4-5H2,1-3H3
InChIKeyOBAMNQJIGYCJNA-UHFFFAOYSA-N
XLogP2.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate (CID 90956075) is ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1C(F)CC.
What is the InChIKey of ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is OBAMNQJIGYCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-4-7(11)9-8(10(13)14-5-2)12-6(3)15-9/h7H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 215.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-fluoropropyl)-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90956075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).