4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole

C20H24N2O3 — CID 515337

IUPAC4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3nc(C)c(C)o3)cc2)on1
InChIInChI=1S/C20H24N2O3/c1-14-13-19(25-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)24-20/h8-11,13H,4-7,12H2,1-3H3
InChIKeyLHLWZXSMKWZJOR-UHFFFAOYSA-N
MW340.42 g/mol
LogP5.05
Rot. Bonds8

About 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole

4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole (PubChem CID 515337) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole
PubChem CID515337
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3nc(C)c(C)o3)cc2)on1
InChIInChI=1S/C20H24N2O3/c1-14-13-19(25-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)24-20/h8-11,13H,4-7,12H2,1-3H3
InChIKeyLHLWZXSMKWZJOR-UHFFFAOYSA-N
XLogP5.05
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.05
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 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole (CID 515337) is 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole is Cc1cc(CCCCCOc2ccc(-c3nc(C)c(C)o3)cc2)on1.
What is the InChIKey of 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole?
The InChIKey is LHLWZXSMKWZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-13-19(25-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)24-20/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole?
4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole has a molecular weight of 340.42 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole is sourced from PubChem (CID 515337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).