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

C22H24N2O3 — CID 159594822

IUPAC1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one
SMILESCc1ccc(-c2nc(COCC(=O)CCCc3cccnc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-8-10-19(11-9-16)22-24-21(17(2)27-22)15-26-14-20(25)7-3-5-18-6-4-12-23-13-18/h4,6,8-13H,3,5,7,14-15H2,1-2H3
InChIKeyDQSNHRKMRYTYSP-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.46
Rot. Bonds9

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

1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one (PubChem CID 159594822) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one
PubChem CID159594822
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one
SMILESCc1ccc(-c2nc(COCC(=O)CCCc3cccnc3)c(C)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-16-8-10-19(11-9-16)22-24-21(17(2)27-22)15-26-14-20(25)7-3-5-18-6-4-12-23-13-18/h4,6,8-13H,3,5,7,14-15H2,1-2H3
InChIKeyDQSNHRKMRYTYSP-UHFFFAOYSA-N
XLogP4.46
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridin-3-ylbutan-2-one
CID 162010824
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 3240583
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-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
[2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]acetyl]azanide;rubidium(1+)
CID 145086248
5-(4-chlorophenyl)-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]pentan-2-one
CID 147847944
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-5-phenylpentan-2-one;methane
CID 160775489
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
4-[4-[[4-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]phenyl]sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 86709131
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
1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)pentan-2-one
CID 149258280
5-(4-fluorophenyl)-1-[[2-[4-(methoxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]pentan-2-one
CID 158067966

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one?
The IUPAC name of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one (CID 159594822) is 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one?
The canonical SMILES for 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one is Cc1ccc(-c2nc(COCC(=O)CCCc3cccnc3)c(C)o2)cc1.
What is the InChIKey of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one?
The InChIKey is DQSNHRKMRYTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-8-10-19(11-9-16)22-24-21(17(2)27-22)15-26-14-20(25)7-3-5-18-6-4-12-23-13-18/h4,6,8-13H,3,5,7,14-15H2,1-2H3.
What are the key properties of 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one?
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one has a molecular weight of 364.45 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]-5-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 159594822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).