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

C21H26N2O3 — CID 5273096

IUPAC5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCCc1cc(-c2ncco2)cc(C)c1OCCCCCc1cc(C)no1
InChIInChI=1S/C21H26N2O3/c1-4-17-14-18(21-22-9-11-25-21)12-15(2)20(17)24-10-7-5-6-8-19-13-16(3)23-26-19/h9,11-14H,4-8,10H2,1-3H3
InChIKeyBEYMBWUKPGNGDK-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.30
Rot. Bonds9

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

5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5273096) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5273096
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCCc1cc(-c2ncco2)cc(C)c1OCCCCCc1cc(C)no1
InChIInChI=1S/C21H26N2O3/c1-4-17-14-18(21-22-9-11-25-21)12-15(2)20(17)24-10-7-5-6-8-19-13-16(3)23-26-19/h9,11-14H,4-8,10H2,1-3H3
InChIKeyBEYMBWUKPGNGDK-UHFFFAOYSA-N
XLogP5.30
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.30
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-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5273096) is 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is CCc1cc(-c2ncco2)cc(C)c1OCCCCCc1cc(C)no1.
What is the InChIKey of 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is BEYMBWUKPGNGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-17-14-18(21-22-9-11-25-21)12-15(2)20(17)24-10-7-5-6-8-19-13-16(3)23-26-19/h9,11-14H,4-8,10H2,1-3H3.
What are the key properties of 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 354.45 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-ethyl-6-methyl-4-(1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5273096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).