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

C28H32N2O6 — CID 3817337

IUPAC4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
SMILESCOc1cc(CCC(C)=O)ccc1OCC1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CCO1
InChIInChI=1S/C28H32N2O6/c1-19(31)9-10-21-11-12-25(26(15-21)33-3)35-18-23-17-30(13-14-34-23)27(32)16-24-20(2)36-28(29-24)22-7-5-4-6-8-22/h4-8,11-12,15,23H,9-10,13-14,16-18H2,1-3H3
InChIKeyNCAYWWZKAJJEMM-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.03
Rot. Bonds10

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

4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one (PubChem CID 3817337) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
PubChem CID3817337
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
SMILESCOc1cc(CCC(C)=O)ccc1OCC1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CCO1
InChIInChI=1S/C28H32N2O6/c1-19(31)9-10-21-11-12-25(26(15-21)33-3)35-18-23-17-30(13-14-34-23)27(32)16-24-20(2)36-28(29-24)22-7-5-4-6-8-22/h4-8,11-12,15,23H,9-10,13-14,16-18H2,1-3H3
InChIKeyNCAYWWZKAJJEMM-UHFFFAOYSA-N
XLogP4.03
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one with MolForge

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Related Compounds

4-[3-methoxy-4-[[4-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
CID 3750249
1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3758279
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3795731
4-[4-[[4-[2-(5-chloro-1-benzothiophen-3-yl)acetyl]morpholin-2-yl]methoxy]-3-methoxyphenyl]butan-2-one
CID 3871460
1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3750017
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799
[5-[[2-[[2-methoxy-4-(3-oxobutyl)phenoxy]methyl]morpholin-4-yl]methyl]furan-2-yl]methyl acetate
CID 74225382
3-(4-hydroxyphenyl)-2-[2-[[2-methoxy-4-(3-oxobutyl)phenoxy]methyl]morpholine-4-carbonyl]prop-2-enenitrile
CID 4983266
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 21224406
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one?
The IUPAC name of 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one (CID 3817337) is 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one is COc1cc(CCC(C)=O)ccc1OCC1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CCO1.
What is the InChIKey of 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one?
The InChIKey is NCAYWWZKAJJEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-19(31)9-10-21-11-12-25(26(15-21)33-3)35-18-23-17-30(13-14-34-23)27(32)16-24-20(2)36-28(29-24)22-7-5-4-6-8-22/h4-8,11-12,15,23H,9-10,13-14,16-18H2,1-3H3.
What are the key properties of 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one?
4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one has a molecular weight of 492.57 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one is sourced from PubChem (CID 3817337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).