[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate

C24H29N3O7 — CID 55493953

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
SMILESCCCCC(OC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C24H29N3O7/c1-6-7-8-20(23(28)25-22-11-14(2)33-27-22)32-24(29)17-9-10-19(21(12-17)30-5)31-13-18-15(3)26-34-16(18)4/h9-12,20H,6-8,13H2,1-5H3,(H,25,27,28)
InChIKeyUREVKESGNFNMQH-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.53
Rot. Bonds11

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate (PubChem CID 55493953) has the molecular formula C24H29N3O7 and a molecular weight of 471.51 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
PubChem CID55493953
Molecular FormulaC24H29N3O7
Molecular Weight471.51 g/mol
Exact Mass471.20
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
SMILESCCCCC(OC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C24H29N3O7/c1-6-7-8-20(23(28)25-22-11-14(2)33-27-22)32-24(29)17-9-10-19(21(12-17)30-5)31-13-18-15(3)26-34-16(18)4/h9-12,20H,6-8,13H2,1-5H3,(H,25,27,28)
InChIKeyUREVKESGNFNMQH-UHFFFAOYSA-N
XLogP4.53
TPSA125.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2537436
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 8524761
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-butoxy-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methoxybenzohydrazide
CID 35781681
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
2-(4-cyano-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 17441178
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2394830
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985472
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
[1-(3-nitroanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 55327219

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate (CID 55493953) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate is CCCCC(OC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
The InChIKey is UREVKESGNFNMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7/c1-6-7-8-20(23(28)25-22-11-14(2)33-27-22)32-24(29)17-9-10-19(21(12-17)30-5)31-13-18-15(3)26-34-16(18)4/h9-12,20H,6-8,13H2,1-5H3,(H,25,27,28).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate has a molecular weight of 471.51 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate is sourced from PubChem (CID 55493953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).