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

C17H19N3O5 — CID 108983326

IUPAC1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3cc(C)on3)CC2)c(OC)c1
InChIInChI=1S/C17H19N3O5/c1-10-8-14(20-25-10)19-16(22)17(6-7-17)15(21)18-12-5-4-11(23-2)9-13(12)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyYQMOIKSOVHTLCX-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.36
Rot. Bonds6

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

1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 108983326) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
PubChem CID108983326
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)Nc3cc(C)on3)CC2)c(OC)c1
InChIInChI=1S/C17H19N3O5/c1-10-8-14(20-25-10)19-16(22)17(6-7-17)15(21)18-12-5-4-11(23-2)9-13(12)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyYQMOIKSOVHTLCX-UHFFFAOYSA-N
XLogP2.36
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
methyl 4-chloro-3-[[1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983551
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
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
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983885
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (CID 108983326) is 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)Nc3cc(C)on3)CC2)c(OC)c1.
What is the InChIKey of 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YQMOIKSOVHTLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10-8-14(20-25-10)19-16(22)17(6-7-17)15(21)18-12-5-4-11(23-2)9-13(12)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethoxyphenyl)-1-N'-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108983326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).