5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole

C18H14ClF3N2O2 — CID 10619957

IUPAC5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccc(Cl)cc2)c1-c1cc(C)no1
InChIInChI=1S/C18H14ClF3N2O2/c1-3-25-13-9-15(18(20,21)22)23-17(11-4-6-12(19)7-5-11)16(13)14-8-10(2)24-26-14/h4-9H,3H2,1-2H3
InChIKeyBBLZOLHFZKICEI-UHFFFAOYSA-N
MW382.77 g/mol
LogP5.78
Rot. Bonds4

About 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole

5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole (PubChem CID 10619957) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
PubChem CID10619957
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole
SMILESCCOc1cc(C(F)(F)F)nc(-c2ccc(Cl)cc2)c1-c1cc(C)no1
InChIInChI=1S/C18H14ClF3N2O2/c1-3-25-13-9-15(18(20,21)22)23-17(11-4-6-12(19)7-5-11)16(13)14-8-10(2)24-26-14/h4-9H,3H2,1-2H3
InChIKeyBBLZOLHFZKICEI-UHFFFAOYSA-N
XLogP5.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.77
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole (CID 10619957) is 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole is CCOc1cc(C(F)(F)F)nc(-c2ccc(Cl)cc2)c1-c1cc(C)no1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
The InChIKey is BBLZOLHFZKICEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-3-25-13-9-15(18(20,21)22)23-17(11-4-6-12(19)7-5-11)16(13)14-8-10(2)24-26-14/h4-9H,3H2,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole?
5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole has a molecular weight of 382.77 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-4-ethoxy-6-(trifluoromethyl)-3-pyridinyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 10619957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).