N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide

C8H12N2O2 — CID 20523836

IUPACN-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC=C(C)CNC(=O)C1=NCCO1
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-7(11)8-9-3-4-12-8/h1,3-5H2,2H3,(H,10,11)
InChIKeyHAKHXVDLSNXHNC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.11
Rot. Bonds3

About N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide

N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523836) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523836
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC=C(C)CNC(=O)C1=NCCO1
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-7(11)8-9-3-4-12-8/h1,3-5H2,2H3,(H,10,11)
InChIKeyHAKHXVDLSNXHNC-UHFFFAOYSA-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-(2-methylprop-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-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523754
N-[(E)-but-2-enyl]-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523764
N,N-bis(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523840
N-(2-methylprop-2-enyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523849
N-but-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 54369359
2-methoxy-N-(2-methylprop-2-enyl)acetamide
CID 114618364
2-(2-aminoethoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 79463290
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
2-[2-(2-Methylprop-2-enylamino)ethoxy]acetamide
CID 106237979
2-(2-aminoethoxy)-N-(2-methylprop-2-enyl)acetamide
CID 114617027
2-ethoxy-N-(2-methylprop-2-enyl)acetamide
CID 114618787
2-(2-aminoethoxy)-N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 116288054

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523836) is N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide is C=C(C)CNC(=O)C1=NCCO1.
What is the InChIKey of N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is HAKHXVDLSNXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)5-10-7(11)8-9-3-4-12-8/h1,3-5H2,2H3,(H,10,11).
What are the key properties of N-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-(2-methylprop-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-(2-methylprop-2-enyl)-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).