1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide

C18H21N3O3 — CID 108976615

IUPAC1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C18H21N3O3/c1-3-21(12-14-7-5-4-6-8-14)17(23)18(9-10-18)16(22)19-15-11-13(2)24-20-15/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,20,22)
InChIKeyCTZCOAWDYIQJFQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.75
Rot. Bonds6

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

1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 108976615) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
PubChem CID108976615
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C18H21N3O3/c1-3-21(12-14-7-5-4-6-8-14)17(23)18(9-10-18)16(22)19-15-11-13(2)24-20-15/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,20,22)
InChIKeyCTZCOAWDYIQJFQ-UHFFFAOYSA-N
XLogP2.75
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976586
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976541
1-N'-benzyl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976596
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976574
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566
1-(4-benzylpiperidine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108980011
1-N-(5-methyl-1,2-oxazol-3-yl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975488
1-N'-(2,6-difluorophenyl)-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108983885
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976771
N-benzyl-N-ethyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109190788
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983363

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide (CID 108976615) is 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cc(C)on2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CTZCOAWDYIQJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-21(12-14-7-5-4-6-8-14)17(23)18(9-10-18)16(22)19-15-11-13(2)24-20-15/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,20,22).
What are the key properties of 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).