[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride

C24H29ClN4O5 — CID 123425049

IUPAC[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride
SMILESCOc1ccc(-c2cnoc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)C([NH3+])CCC(N)=O.[Cl-]
InChIInChI=1S/C24H28N4O5.ClH/c1-13-9-16(11-21(32-4)14(13)2)23-17(12-27-33-23)15-5-7-20(31-3)19(10-15)28-24(30)18(25)6-8-22(26)29;/h5,7,9-12,18H,6,8,25H2,1-4H3,(H2,26,29)(H,28,30);1H
InChIKeyWIYYFHSWMGBLGF-UHFFFAOYSA-N
MW488.97 g/mol
LogP-0.54
Rot. Bonds9

About [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride

[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride (PubChem CID 123425049) has the molecular formula C24H29ClN4O5 and a molecular weight of 488.97 g/mol. Its IUPAC name is [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride.

Molecular Properties

Compound Name[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride
PubChem CID123425049
Molecular FormulaC24H29ClN4O5
Molecular Weight488.97 g/mol
Exact Mass488.18
IUPAC Name[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride
SMILESCOc1ccc(-c2cnoc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)C([NH3+])CCC(N)=O.[Cl-]
InChIInChI=1S/C24H28N4O5.ClH/c1-13-9-16(11-21(32-4)14(13)2)23-17(12-27-33-23)15-5-7-20(31-3)19(10-15)28-24(30)18(25)6-8-22(26)29;/h5,7,9-12,18H,6,8,25H2,1-4H3,(H2,26,29)(H,28,30);1H
InChIKeyWIYYFHSWMGBLGF-UHFFFAOYSA-N
XLogP-0.54
TPSA144.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride 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

[6-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1-oxohexan-2-yl]azanium chloride
CID 123184630
[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 87207958
[5-amino-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium
CID 59430131
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]butanamide;hydrochloride
CID 66929609
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-phenylpropanamide
CID 11995711
3-amino-2-chloro-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-4-methylpentanamide
CID 141302166
[(2S)-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazol-4-yl]anilino]-3-methyl-1-oxopentan-2-yl]azanium chloride
CID 158911020
3-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-4-methylpentanamide;hydrochloride
CID 11996413
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
CID 58178317
5-(3-methoxy-4,5-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazole
CID 58178258
4-[[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 58712063
[(1S)-2-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-thiazol-4-yl]anilino]-2-oxo-1-phenylethyl]azanium chloride
CID 159338348

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride?
The IUPAC name of [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride (CID 123425049) is [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride.
What is the SMILES notation for [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride?
The canonical SMILES for [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride is COc1ccc(-c2cnoc2-c2cc(C)c(C)c(OC)c2)cc1NC(=O)C([NH3+])CCC(N)=O.[Cl-].
What is the InChIKey of [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride?
The InChIKey is WIYYFHSWMGBLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5.ClH/c1-13-9-16(11-21(32-4)14(13)2)23-17(12-27-33-23)15-5-7-20(31-3)19(10-15)28-24(30)18(25)6-8-22(26)29;/h5,7,9-12,18H,6,8,25H2,1-4H3,(H2,26,29)(H,28,30);1H.
What are the key properties of [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride?
[5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride has a molecular weight of 488.97 g/mol, XLogP of -0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[2-methoxy-5-[5-(3-methoxy-4,5-dimethylphenyl)-1,2-oxazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium chloride is sourced from PubChem (CID 123425049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).