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

C20H24N2O4 — CID 5271232

IUPAC1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone
SMILESCC(=O)c1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C20H24N2O4/c1-14-12-17(26-22-14)6-4-3-5-10-24-19-8-7-16(13-18(19)15(2)23)20-21-9-11-25-20/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyBWQIFGACAIDXBA-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.75
Rot. Bonds9

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

1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone (PubChem CID 5271232) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone
PubChem CID5271232
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone
SMILESCC(=O)c1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1
InChIInChI=1S/C20H24N2O4/c1-14-12-17(26-22-14)6-4-3-5-10-24-19-8-7-16(13-18(19)15(2)23)20-21-9-11-25-20/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyBWQIFGACAIDXBA-UHFFFAOYSA-N
XLogP3.75
TPSA73.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 55717
CID 55717
CID 1786
CID 1786
CID 3082640
CID 3082640
CID 279122
CID 279122
CID 1790
CID 1790
CID 5271219
CID 5271219
CID 5271223
CID 5271223
CID 5271224
CID 5271224
CID 5271225
CID 5271225
CID 5271226
CID 5271226
CID 5271229
CID 5271229
CID 5271230
CID 5271230

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone?
The IUPAC name of 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone (CID 5271232) is 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone is CC(=O)c1cc(C2=NCCO2)ccc1OCCCCCc1cc(C)no1.
What is the InChIKey of 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone?
The InChIKey is BWQIFGACAIDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-12-17(26-22-14)6-4-3-5-10-24-19-8-7-16(13-18(19)15(2)23)20-21-9-11-25-20/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone?
1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone has a molecular weight of 356.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]ethanone is sourced from PubChem (CID 5271232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).