N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide

C16H19N3O5 — CID 863139

IUPACN-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCOc1ccc(NC(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1
InChIInChI=1S/C16H19N3O5/c1-10-8-14(19-24-10)18-16(21)7-6-15(20)17-12-5-4-11(22-2)9-13(12)23-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyCCUYNEIIWGUOPS-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.36
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide

N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 863139) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID863139
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCOc1ccc(NC(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1
InChIInChI=1S/C16H19N3O5/c1-10-8-14(19-24-10)18-16(21)7-6-15(20)17-12-5-4-11(22-2)9-13(12)23-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,18,19,21)
InChIKeyCCUYNEIIWGUOPS-UHFFFAOYSA-N
XLogP2.36
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
3-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109040419
1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983326
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670331
4-N-(2,4-dimethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093166
N-(2,4-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157855
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 863139) is N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide is COc1ccc(NC(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is CCUYNEIIWGUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-8-14(19-24-10)18-16(21)7-6-15(20)17-12-5-4-11(22-2)9-13(12)23-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 333.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 863139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).