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

C20H26N2O3 — CID 5271684

IUPAC5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2C)on1
InChIInChI=1S/C20H26N2O3/c1-14-11-17(20-21-8-10-24-20)12-15(2)19(14)23-9-6-4-5-7-18-13-16(3)22-25-18/h11-13H,4-10H2,1-3H3
InChIKeyMSZCXECQVJYWGM-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.17
Rot. Bonds8

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

5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5271684) 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)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5271684
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2C)on1
InChIInChI=1S/C20H26N2O3/c1-14-11-17(20-21-8-10-24-20)12-15(2)19(14)23-9-6-4-5-7-18-13-16(3)22-25-18/h11-13H,4-10H2,1-3H3
InChIKeyMSZCXECQVJYWGM-UHFFFAOYSA-N
XLogP4.17
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.17
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)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5271684) is 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]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-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2C)on1.
What is the InChIKey of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is MSZCXECQVJYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-11-17(20-21-8-10-24-20)12-15(2)19(14)23-9-6-4-5-7-18-13-16(3)22-25-18/h11-13H,4-10H2,1-3H3.
What are the key properties of 5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 342.44 g/mol, XLogP of 4.17, 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-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5271684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).