N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

C12H18N2O2 — CID 20523792

IUPACN,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC/C=C/CN(C/C=C/C)C(=O)C1=NCCO1
InChIInChI=1S/C12H18N2O2/c1-3-5-8-14(9-6-4-2)12(15)11-13-7-10-16-11/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyIHYZFTWIJFRBMD-GGWOSOGESA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds5

About N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide

N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523792) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523792
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC/C=C/CN(C/C=C/C)C(=O)C1=NCCO1
InChIInChI=1S/C12H18N2O2/c1-3-5-8-14(9-6-4-2)12(15)11-13-7-10-16-11/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeyIHYZFTWIJFRBMD-GGWOSOGESA-N
XLogP1.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
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 N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523792) is N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is C/C=C/CN(C/C=C/C)C(=O)C1=NCCO1.
What is the InChIKey of N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is IHYZFTWIJFRBMD-GGWOSOGESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-5-8-14(9-6-4-2)12(15)11-13-7-10-16-11/h3-6H,7-10H2,1-2H3/b5-3+,6-4+.
What are the key properties of N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).