5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole

C22H30N2O3 — CID 515336

IUPAC5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCCCOc2ccc(C3=NC(C)(C)CO3)cc2)on1
InChIInChI=1S/C22H30N2O3/c1-17-15-20(27-24-17)9-7-5-4-6-8-14-25-19-12-10-18(11-13-19)21-23-22(2,3)16-26-21/h10-13,15H,4-9,14,16H2,1-3H3
InChIKeyUZNYBPPIYOHJBB-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.11
Rot. Bonds10

About 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole

5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole (PubChem CID 515336) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
PubChem CID515336
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCCCOc2ccc(C3=NC(C)(C)CO3)cc2)on1
InChIInChI=1S/C22H30N2O3/c1-17-15-20(27-24-17)9-7-5-4-6-8-14-25-19-12-10-18(11-13-19)21-23-22(2,3)16-26-21/h10-13,15H,4-9,14,16H2,1-3H3
InChIKeyUZNYBPPIYOHJBB-UHFFFAOYSA-N
XLogP5.11
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.11
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-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole (CID 515336) is 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCCCOc2ccc(C3=NC(C)(C)CO3)cc2)on1.
What is the InChIKey of 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole?
The InChIKey is UZNYBPPIYOHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17-15-20(27-24-17)9-7-5-4-6-8-14-25-19-12-10-18(11-13-19)21-23-22(2,3)16-26-21/h10-13,15H,4-9,14,16H2,1-3H3.
What are the key properties of 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole?
5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole has a molecular weight of 370.49 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).