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

C8H12N2O2 — CID 20523764

IUPACN-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC/C=C/CNC(=O)C1=NCCO1
InChIInChI=1S/C8H12N2O2/c1-2-3-4-9-7(11)8-10-5-6-12-8/h2-3H,4-6H2,1H3,(H,9,11)/b3-2+
InChIKeyUSBBDROEJAHXGL-NSCUHMNNSA-N
MW168.20 g/mol
LogP0.11
Rot. Bonds3

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

N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523764) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523764
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC/C=C/CNC(=O)C1=NCCO1
InChIInChI=1S/C8H12N2O2/c1-2-3-4-9-7(11)8-10-5-6-12-8/h2-3H,4-6H2,1H3,(H,9,11)/b3-2+
InChIKeyUSBBDROEJAHXGL-NSCUHMNNSA-N
XLogP0.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209728
N-Allyl-2-methoxy-acetamide
CID 11355489
2-ethoxy-N-prop-2-enylacetamide
CID 17780821
N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523754
N,N-bis(prop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523761
N,N-bis[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523792
N-prop-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523801
N-[(E)-but-2-enyl]-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523832
N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523836
N-but-2-enyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 53768476
N,N-bis(but-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 53917348
N-but-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 54369359

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523764) is N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is C/C=C/CNC(=O)C1=NCCO1.
What is the InChIKey of N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is USBBDROEJAHXGL-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-4-9-7(11)8-10-5-6-12-8/h2-3H,4-6H2,1H3,(H,9,11)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).