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

C20H26N2O3 — CID 5273101

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole
SMILESCCCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1
InChIInChI=1S/C20H26N2O3/c1-2-6-17-15-19(25-22-17)7-4-3-5-13-23-18-10-8-16(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChIKeyYVZIEOVVTJKRKN-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.20
Rot. Bonds10

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

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole (PubChem CID 5273101) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole
PubChem CID5273101
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole
SMILESCCCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1
InChIInChI=1S/C20H26N2O3/c1-2-6-17-15-19(25-22-17)7-4-3-5-13-23-18-10-8-16(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChIKeyYVZIEOVVTJKRKN-UHFFFAOYSA-N
XLogP4.20
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.20
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)phenoxy]pentyl]-3-propyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole (CID 5273101) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole is CCCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole?
The InChIKey is YVZIEOVVTJKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-6-17-15-19(25-22-17)7-4-3-5-13-23-18-10-8-16(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-propyl-1,2-oxazole has a molecular weight of 342.44 g/mol, XLogP of 4.20, 10 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)phenoxy]pentyl]-3-propyl-1,2-oxazole is sourced from PubChem (CID 5273101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).