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

C19H22F2N2O3 — CID 5271235

IUPAC5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(F)F)on1
InChIInChI=1S/C19H22F2N2O3/c1-13-11-15(26-23-13)5-3-2-4-9-24-17-7-6-14(12-16(17)18(20)21)19-22-8-10-25-19/h6-7,11-12,18H,2-5,8-10H2,1H3
InChIKeyWDVJEECUFWYPEB-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.49
Rot. Bonds9

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

5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271235) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271235
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(F)F)on1
InChIInChI=1S/C19H22F2N2O3/c1-13-11-15(26-23-13)5-3-2-4-9-24-17-7-6-14(12-16(17)18(20)21)19-22-8-10-25-19/h6-7,11-12,18H,2-5,8-10H2,1H3
InChIKeyWDVJEECUFWYPEB-UHFFFAOYSA-N
XLogP4.49
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.49
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-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271235) is 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(F)F)on1.
What is the InChIKey of 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is WDVJEECUFWYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-13-11-15(26-23-13)5-3-2-4-9-24-17-7-6-14(12-16(17)18(20)21)19-22-8-10-25-19/h6-7,11-12,18H,2-5,8-10H2,1H3.
What are the key properties of 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 364.39 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(difluoromethyl)-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).