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

C19H21F3N2O3 — CID 5271225

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(F)(F)F)on1
InChIInChI=1S/C19H21F3N2O3/c1-13-11-15(27-24-13)5-3-2-4-9-25-17-7-6-14(18-23-8-10-26-18)12-16(17)19(20,21)22/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyXGVXZGHVFAPUTG-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.57
Rot. Bonds8

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

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271225) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271225
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(F)(F)F)on1
InChIInChI=1S/C19H21F3N2O3/c1-13-11-15(27-24-13)5-3-2-4-9-25-17-7-6-14(18-23-8-10-26-18)12-16(17)19(20,21)22/h6-7,11-12H,2-5,8-10H2,1H3
InChIKeyXGVXZGHVFAPUTG-UHFFFAOYSA-N
XLogP4.57
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.57
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-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271225) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(F)(F)F)on1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is XGVXZGHVFAPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-13-11-15(27-24-13)5-3-2-4-9-25-17-7-6-14(18-23-8-10-26-18)12-16(17)19(20,21)22/h6-7,11-12H,2-5,8-10H2,1H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 382.38 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-(trifluoromethyl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).