5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide

C11H14N2O2 — CID 84578114

IUPAC5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ncc(C)o1
InChIInChI=1S/C11H14N2O2/c1-4-6-13(7-5-2)11(14)10-12-8-9(3)15-10/h4-5,8H,1-2,6-7H2,3H3
InChIKeyKRZUVSSUNLRAGD-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.80
Rot. Bonds5

About 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide

5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide (PubChem CID 84578114) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide
PubChem CID84578114
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ncc(C)o1
InChIInChI=1S/C11H14N2O2/c1-4-6-13(7-5-2)11(14)10-12-8-9(3)15-10/h4-5,8H,1-2,6-7H2,3H3
InChIKeyKRZUVSSUNLRAGD-UHFFFAOYSA-N
XLogP1.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide (CID 84578114) is 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide is C=CCN(CC=C)C(=O)c1ncc(C)o1.
What is the InChIKey of 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide?
The InChIKey is KRZUVSSUNLRAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-6-13(7-5-2)11(14)10-12-8-9(3)15-10/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide?
5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-bis(prop-2-enyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 84578114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).