methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate

C18H11F3N2O4 — CID 90340143

IUPACmethyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2c(-c3ccccc3)noc2C(F)(F)F)nc1
InChIInChI=1S/C18H11F3N2O4/c1-26-17(25)11-7-8-12(22-9-11)15(24)13-14(10-5-3-2-4-6-10)23-27-16(13)18(19,20)21/h2-9H,1H3
InChIKeyIFWAKWCKMDACDR-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.77
Rot. Bonds4

About methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate

methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate (PubChem CID 90340143) has the molecular formula C18H11F3N2O4 and a molecular weight of 376.29 g/mol. Its IUPAC name is methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate
PubChem CID90340143
Molecular FormulaC18H11F3N2O4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Namemethyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2c(-c3ccccc3)noc2C(F)(F)F)nc1
InChIInChI=1S/C18H11F3N2O4/c1-26-17(25)11-7-8-12(22-9-11)15(24)13-14(10-5-3-2-4-6-10)23-27-16(13)18(19,20)21/h2-9H,1H3
InChIKeyIFWAKWCKMDACDR-UHFFFAOYSA-N
XLogP3.77
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate (CID 90340143) is methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)c2c(-c3ccccc3)noc2C(F)(F)F)nc1.
What is the InChIKey of methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate?
The InChIKey is IFWAKWCKMDACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O4/c1-26-17(25)11-7-8-12(22-9-11)15(24)13-14(10-5-3-2-4-6-10)23-27-16(13)18(19,20)21/h2-9H,1H3.
What are the key properties of methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate?
methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate has a molecular weight of 376.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 90340143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).