1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one

C22H24N2O3 — CID 162010824

IUPAC1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one
SMILESCCc1ccc(-c2nc(COCC(=O)CCc3cccnc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-3-17-6-9-19(10-7-17)22-24-21(16(2)27-22)15-26-14-20(25)11-8-18-5-4-12-23-13-18/h4-7,9-10,12-13H,3,8,11,14-15H2,1-2H3
InChIKeyUVQGNIGKRULTTR-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.33
Rot. Bonds9

About 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one (PubChem CID 162010824) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one
PubChem CID162010824
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one
SMILESCCc1ccc(-c2nc(COCC(=O)CCc3cccnc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-3-17-6-9-19(10-7-17)22-24-21(16(2)27-22)15-26-14-20(25)11-8-18-5-4-12-23-13-18/h4-7,9-10,12-13H,3,8,11,14-15H2,1-2H3
InChIKeyUVQGNIGKRULTTR-UHFFFAOYSA-N
XLogP4.33
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one
CID 159594822
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]ethanone;tris(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]ethanone)
CID 158772988
butan-2-yl 3-[4-[(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)methoxy]phenyl]propaneperoxoate
CID 87612441
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-5-phenylpentan-2-one;1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-phenylpentan-2-one;bis(1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-pyridin-4-ylpentan-2-one)
CID 160868076
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-5-phenylpentan-2-one;methane
CID 160775489
[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086248
ethyl 3-[4-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propaneperoxoate
CID 87612042
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
3-[(4-ethylphenyl)methoxymethyl]pyridine;4-[2-(4-methylphenyl)ethyl]pyridine
CID 142207272
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetyl iodide
CID 121359893
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
(2R)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-pyridin-3-ylpropanoic acid
CID 59096884

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one?
The IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one (CID 162010824) is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one is CCc1ccc(-c2nc(COCC(=O)CCc3cccnc3)c(C)o2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one?
The InChIKey is UVQGNIGKRULTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-17-6-9-19(10-7-17)22-24-21(16(2)27-22)15-26-14-20(25)11-8-18-5-4-12-23-13-18/h4-7,9-10,12-13H,3,8,11,14-15H2,1-2H3.
What are the key properties of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one?
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one has a molecular weight of 364.44 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 162010824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).