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

C11H10F3N3O3 — CID 103199471

IUPACethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccnn2C)nc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O3/c1-3-19-10(18)7-8(11(12,13)14)16-9(20-7)6-4-5-15-17(6)2/h4-5H,3H2,1-2H3
InChIKeyQVQZOXXAEBMPDQ-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.27
Rot. Bonds3

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

ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 103199471) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID103199471
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Nameethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccnn2C)nc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O3/c1-3-19-10(18)7-8(11(12,13)14)16-9(20-7)6-4-5-15-17(6)2/h4-5H,3H2,1-2H3
InChIKeyQVQZOXXAEBMPDQ-UHFFFAOYSA-N
XLogP2.27
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 103199471) is ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2ccnn2C)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is QVQZOXXAEBMPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c1-3-19-10(18)7-8(11(12,13)14)16-9(20-7)6-4-5-15-17(6)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 289.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 103199471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).