[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium

C25H32N3O5+ — CID 58178347

IUPAC[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium
SMILESCCC(C)C([NH3+])C(=O)Nc1cc(-c2conc2-c2cc(C)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C25H31N3O5/c1-7-14(2)22(26)25(29)27-19-11-16(8-9-20(19)30-4)18-13-33-28-23(18)17-10-15(3)24(32-6)21(12-17)31-5/h8-14,22H,7,26H2,1-6H3,(H,27,29)/p+1
InChIKeyVIZJJOHTGKIXMD-UHFFFAOYSA-O
MW454.55 g/mol
LogP3.94
Rot. Bonds9

About [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium

[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium (PubChem CID 58178347) has the molecular formula C25H32N3O5+ and a molecular weight of 454.55 g/mol. Its IUPAC name is [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium
PubChem CID58178347
Molecular FormulaC25H32N3O5+
Molecular Weight454.55 g/mol
Exact Mass454.23
IUPAC Name[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium
SMILESCCC(C)C([NH3+])C(=O)Nc1cc(-c2conc2-c2cc(C)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C25H31N3O5/c1-7-14(2)22(26)25(29)27-19-11-16(8-9-20(19)30-4)18-13-33-28-23(18)17-10-15(3)24(32-6)21(12-17)31-5/h8-14,22H,7,26H2,1-6H3,(H,27,29)/p+1
InChIKeyVIZJJOHTGKIXMD-UHFFFAOYSA-O
XLogP3.94
TPSA110.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium chloride
CID 123620706
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-(2-methylbutyl)urea;hydrochloride
CID 173126193
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-2-phenylacetamide
CID 58712186
[5-(diaminomethylideneamino)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopentan-2-yl]azanium chloride
CID 87207885
[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 87103618
6-amino-2-(chloroamino)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]hexanamide
CID 149058195
[(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
2-amino-3-(1H-indol-2-yl)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
CID 11996890
[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

Frequently Asked Questions

What is the IUPAC name of [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium (CID 58178347) is [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium is CCC(C)C([NH3+])C(=O)Nc1cc(-c2conc2-c2cc(C)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is VIZJJOHTGKIXMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H31N3O5/c1-7-14(2)22(26)25(29)27-19-11-16(8-9-20(19)30-4)18-13-33-28-23(18)17-10-15(3)24(32-6)21(12-17)31-5/h8-14,22H,7,26H2,1-6H3,(H,27,29)/p+1.
What are the key properties of [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium?
[1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 454.55 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyanilino]-3-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 58178347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).