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

C18H20F2N2O3 — CID 5271686

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(F)cc(C3=NCCO3)cc2F)on1
InChIInChI=1S/C18H20F2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
InChIKeyCZJCVAHXNFURJZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.83
Rot. Bonds8

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

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271686) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271686
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(F)cc(C3=NCCO3)cc2F)on1
InChIInChI=1S/C18H20F2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
InChIKeyCZJCVAHXNFURJZ-UHFFFAOYSA-N
XLogP3.83
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271686) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(F)cc(C3=NCCO3)cc2F)on1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is CZJCVAHXNFURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 350.37 g/mol, XLogP of 3.83, 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)-2,6-difluorophenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).