3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione

C24H25NO4 — CID 10524496

IUPAC3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione
SMILESCC(=O)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(C)=O
InChIInChI=1S/C24H25NO4/c1-16(26)22(17(2)27)15-19-9-11-21(12-10-19)28-14-13-23-18(3)29-24(25-23)20-7-5-4-6-8-20/h4-12,22H,13-15H2,1-3H3
InChIKeyFAWBLKSFJWSWAT-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.61
Rot. Bonds9

About 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione

3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione (PubChem CID 10524496) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione
PubChem CID10524496
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione
SMILESCC(=O)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(C)=O
InChIInChI=1S/C24H25NO4/c1-16(26)22(17(2)27)15-19-9-11-21(12-10-19)28-14-13-23-18(3)29-24(25-23)20-7-5-4-6-8-20/h4-12,22H,13-15H2,1-3H3
InChIKeyFAWBLKSFJWSWAT-UHFFFAOYSA-N
XLogP4.61
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione?
The IUPAC name of 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione (CID 10524496) is 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione.
What is the SMILES notation for 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione?
The canonical SMILES for 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione is CC(=O)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(C)=O.
What is the InChIKey of 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione?
The InChIKey is FAWBLKSFJWSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16(26)22(17(2)27)15-19-9-11-21(12-10-19)28-14-13-23-18(3)29-24(25-23)20-7-5-4-6-8-20/h4-12,22H,13-15H2,1-3H3.
What are the key properties of 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione?
3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pentane-2,4-dione is sourced from PubChem (CID 10524496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).