4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide

C13H19N3O2 — CID 79210408

IUPAC4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H19N3O2/c1-8-12(9(2)18-15-8)7-16(3)13(17)10-4-5-11(14)6-10/h4-5,10-11H,6-7,14H2,1-3H3
InChIKeyNUQGPZITGMLECU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.15
Rot. Bonds3

About 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79210408) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79210408
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H19N3O2/c1-8-12(9(2)18-15-8)7-16(3)13(17)10-4-5-11(14)6-10/h4-5,10-11H,6-7,14H2,1-3H3
InChIKeyNUQGPZITGMLECU-UHFFFAOYSA-N
XLogP1.15
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide with MolForge

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Related Compounds

4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208489
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 94649268
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
CID 112658919
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79207915
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726
2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 61109940
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97206248

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide (CID 79210408) is 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is NUQGPZITGMLECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-12(9(2)18-15-8)7-16(3)13(17)10-4-5-11(14)6-10/h4-5,10-11H,6-7,14H2,1-3H3.
What are the key properties of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).