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

C19H24N2O3 — CID 5271221

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)c(C)c2)on1
InChIInChI=1S/C19H24N2O3/c1-14-12-16(7-8-18(14)19-20-9-11-23-19)22-10-5-3-4-6-17-13-15(2)21-24-17/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyFGPKIAZDSBSXGE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.86
Rot. Bonds8

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

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271221) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271221
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3=NCCO3)c(C)c2)on1
InChIInChI=1S/C19H24N2O3/c1-14-12-16(7-8-18(14)19-20-9-11-23-19)22-10-5-3-4-6-17-13-15(2)21-24-17/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyFGPKIAZDSBSXGE-UHFFFAOYSA-N
XLogP3.86
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.86
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)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271221) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2ccc(C3=NCCO3)c(C)c2)on1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is FGPKIAZDSBSXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-12-16(7-8-18(14)19-20-9-11-23-19)22-10-5-3-4-6-17-13-15(2)21-24-17/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 328.41 g/mol, XLogP of 3.86, 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)-3-methylphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).