[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate

C25H28N2O6 — CID 46647063

IUPAC[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
SMILESCOc1ccc(C)cc1NC(=O)C(C)OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C25H28N2O6/c1-15-6-11-23(30-5)22(12-15)26-25(29)18(4)32-24(28)13-19-7-9-20(10-8-19)31-14-21-16(2)27-33-17(21)3/h6-12,18H,13-14H2,1-5H3,(H,26,29)
InChIKeyLNHPQNFMVLWJQY-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.30
Rot. Bonds9

About [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate

[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate (PubChem CID 46647063) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
PubChem CID46647063
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
SMILESCOc1ccc(C)cc1NC(=O)C(C)OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C25H28N2O6/c1-15-6-11-23(30-5)22(12-15)26-25(29)18(4)32-24(28)13-19-7-9-20(10-8-19)31-14-21-16(2)27-33-17(21)3/h6-12,18H,13-14H2,1-5H3,(H,26,29)
InChIKeyLNHPQNFMVLWJQY-UHFFFAOYSA-N
XLogP4.30
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 46623373
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771032
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 4876597
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738271
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2,5-dimethylphenyl)acetamide
CID 26500066
[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 42978887
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385318
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 9098428
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 26010113
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 30671122
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 35028531
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
The IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate (CID 46647063) is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate.
What is the SMILES notation for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
The canonical SMILES for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate is COc1ccc(C)cc1NC(=O)C(C)OC(=O)Cc1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
The InChIKey is LNHPQNFMVLWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-15-6-11-23(30-5)22(12-15)26-25(29)18(4)32-24(28)13-19-7-9-20(10-8-19)31-14-21-16(2)27-33-17(21)3/h6-12,18H,13-14H2,1-5H3,(H,26,29).
What are the key properties of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate?
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate has a molecular weight of 452.51 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 46647063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).