5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole

C19H20ClF3N2O3 — CID 5271687

IUPAC5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2C(F)(F)F)on1
InChIInChI=1S/C19H20ClF3N2O3/c1-12-9-14(28-25-12)5-3-2-4-7-26-17-15(19(21,22)23)10-13(11-16(17)20)18-24-6-8-27-18/h9-11H,2-8H2,1H3
InChIKeyLFPVATJSCHBPID-UHFFFAOYSA-N
MW416.83 g/mol
LogP5.22
Rot. Bonds8

About 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole

5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271687) has the molecular formula C19H20ClF3N2O3 and a molecular weight of 416.83 g/mol. Its IUPAC name is 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271687
Molecular FormulaC19H20ClF3N2O3
Molecular Weight416.83 g/mol
Exact Mass416.11
IUPAC Name5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2C(F)(F)F)on1
InChIInChI=1S/C19H20ClF3N2O3/c1-12-9-14(28-25-12)5-3-2-4-7-26-17-15(19(21,22)23)10-13(11-16(17)20)18-24-6-8-27-18/h9-11H,2-8H2,1H3
InChIKeyLFPVATJSCHBPID-UHFFFAOYSA-N
XLogP5.22
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.83
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271687) is 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2C(F)(F)F)on1.
What is the InChIKey of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is LFPVATJSCHBPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O3/c1-12-9-14(28-25-12)5-3-2-4-7-26-17-15(19(21,22)23)10-13(11-16(17)20)18-24-6-8-27-18/h9-11H,2-8H2,1H3.
What are the key properties of 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 416.83 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)-6-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).