1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one

C20H19NO3 — CID 155528958

IUPAC1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H19NO3/c1-3-19(22)15-9-11-17(12-10-15)23-13-18-14(2)24-21-20(18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3
InChIKeySSYMYVQQJAEKFT-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.82
Rot. Bonds6

About 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one

1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one (PubChem CID 155528958) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one
PubChem CID155528958
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C20H19NO3/c1-3-19(22)15-9-11-17(12-10-15)23-13-18-14(2)24-21-20(18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3
InChIKeySSYMYVQQJAEKFT-UHFFFAOYSA-N
XLogP4.82
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one (CID 155528958) is 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one?
The InChIKey is SSYMYVQQJAEKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-19(22)15-9-11-17(12-10-15)23-13-18-14(2)24-21-20(18)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one?
1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one has a molecular weight of 321.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 155528958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).