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

C20H19NO4 — CID 51333609

IUPAC1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H19NO4/c1-13(22)16-9-10-18(19(11-16)23-3)24-12-17-14(2)25-20(21-17)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyZTLKUSFZHIRLTO-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.44
Rot. Bonds6

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

1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 51333609) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
PubChem CID51333609
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H19NO4/c1-13(22)16-9-10-18(19(11-16)23-3)24-12-17-14(2)25-20(21-17)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyZTLKUSFZHIRLTO-UHFFFAOYSA-N
XLogP4.44
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]heptan-1-ol
CID 67598182
4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 21224406
2-[[4-methoxy-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-2-phenylacetic acid
CID 91372333
3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-methylpyrazole-4-carboxamide
CID 69217464
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
CID 16589131
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-methoxy-3-nitrobenzoate
CID 16961576
2-[3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-phenylpyrazol-4-yl]acetic acid
CID 69431218
(2-hydroxy-4-methoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanone
CID 68911275
2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid
CID 67139817
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902722
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone (CID 51333609) is 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is ZTLKUSFZHIRLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(22)16-9-10-18(19(11-16)23-3)24-12-17-14(2)25-20(21-17)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone?
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 51333609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).