N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

C17H21N3O3 — CID 108962380

IUPACN-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-12-10-14(19-23-12)18-15(21)17(2,3)16(22)20(4)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3,(H,18,19,21)
InChIKeyDVORFJURMIBLBA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.61
Rot. Bonds5

About N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108962380) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108962380
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C17H21N3O3/c1-12-10-14(19-23-12)18-15(21)17(2,3)16(22)20(4)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3,(H,18,19,21)
InChIKeyDVORFJURMIBLBA-UHFFFAOYSA-N
XLogP2.61
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.61
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

4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
CID 108962378
N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide
CID 108962356
N-(2-chlorophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108968909
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
N-benzyl-N'-(4-chloro-2-methoxy-5-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962370
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24528551
3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109064674
N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109369543
5-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109189340
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108962380) is N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)C(C)(C)C(=O)N(C)Cc2ccccc2)no1.
What is the InChIKey of N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is DVORFJURMIBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-10-14(19-23-12)18-15(21)17(2,3)16(22)20(4)11-13-8-6-5-7-9-13/h5-10H,11H2,1-4H3,(H,18,19,21).
What are the key properties of N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 315.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108962380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).