N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide

C16H19N3O6 — CID 108956802

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O6/c1-9-5-13(19-25-9)18-15(21)8-14(20)17-10-6-11(22-2)16(24-4)12(7-10)23-3/h5-7H,8H2,1-4H3,(H,17,20)(H,18,19,21)
InChIKeyIOCXBKAARLSCQP-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.98
Rot. Bonds7

About N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide (PubChem CID 108956802) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
PubChem CID108956802
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O6/c1-9-5-13(19-25-9)18-15(21)8-14(20)17-10-6-11(22-2)16(24-4)12(7-10)23-3/h5-7H,8H2,1-4H3,(H,17,20)(H,18,19,21)
InChIKeyIOCXBKAARLSCQP-UHFFFAOYSA-N
XLogP1.98
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113181914
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
2-(2,4-dimethoxy-3-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110769878
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869783
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide (CID 108956802) is N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide is COc1cc(NC(=O)CC(=O)Nc2cc(C)on2)cc(OC)c1OC.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
The InChIKey is IOCXBKAARLSCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-9-5-13(19-25-9)18-15(21)8-14(20)17-10-6-11(22-2)16(24-4)12(7-10)23-3/h5-7H,8H2,1-4H3,(H,17,20)(H,18,19,21).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide has a molecular weight of 349.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide is sourced from PubChem (CID 108956802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).