ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

C10H12F3NO3 — CID 83381694

IUPACethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)C)oc1C(F)(F)F
InChIInChI=1S/C10H12F3NO3/c1-4-16-9(15)6-7(10(11,12)13)17-8(14-6)5(2)3/h5H,4H2,1-3H3
InChIKeyABNLVWADSKNPGT-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.99
Rot. Bonds3

About ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 83381694) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID83381694
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Nameethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)C)oc1C(F)(F)F
InChIInChI=1S/C10H12F3NO3/c1-4-16-9(15)6-7(10(11,12)13)17-8(14-6)5(2)3/h5H,4H2,1-3H3
InChIKeyABNLVWADSKNPGT-UHFFFAOYSA-N
XLogP2.99
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (CID 83381694) is ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C(C)C)oc1C(F)(F)F.
What is the InChIKey of ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is ABNLVWADSKNPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-4-16-9(15)6-7(10(11,12)13)17-8(14-6)5(2)3/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 251.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 83381694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).