1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone

C24H25NO4 — CID 91231788

IUPAC1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1oc(-c2ccc(OCCCOc3ccc4c(c3)CCC4)cc2)nc1C
InChIInChI=1S/C24H25NO4/c1-16-23(17(2)26)29-24(25-16)19-8-10-21(11-9-19)27-13-4-14-28-22-12-7-18-5-3-6-20(18)15-22/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyRRHLUPANVDRQGX-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.19
Rot. Bonds8

About 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone

1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone (PubChem CID 91231788) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone
PubChem CID91231788
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1oc(-c2ccc(OCCCOc3ccc4c(c3)CCC4)cc2)nc1C
InChIInChI=1S/C24H25NO4/c1-16-23(17(2)26)29-24(25-16)19-8-10-21(11-9-19)27-13-4-14-28-22-12-7-18-5-3-6-20(18)15-22/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyRRHLUPANVDRQGX-UHFFFAOYSA-N
XLogP5.19
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.19
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 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone (CID 91231788) is 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone is CC(=O)c1oc(-c2ccc(OCCCOc3ccc4c(c3)CCC4)cc2)nc1C.
What is the InChIKey of 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone?
The InChIKey is RRHLUPANVDRQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-23(17(2)26)29-24(25-16)19-8-10-21(11-9-19)27-13-4-14-28-22-12-7-18-5-3-6-20(18)15-22/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone?
1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone has a molecular weight of 391.47 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 91231788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).