N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide

C7H10N2O2 — CID 20523754

IUPACN-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC=CCNC(=O)C1=NCCO1
InChIInChI=1S/C7H10N2O2/c1-2-3-8-6(10)7-9-4-5-11-7/h2H,1,3-5H2,(H,8,10)
InChIKeyDVICNRCGHZJGJT-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.28
Rot. Bonds3

About N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide

N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523754) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523754
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC NameN-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESC=CCNC(=O)C1=NCCO1
InChIInChI=1S/C7H10N2O2/c1-2-3-8-6(10)7-9-4-5-11-7/h2H,1,3-5H2,(H,8,10)
InChIKeyDVICNRCGHZJGJT-UHFFFAOYSA-N
XLogP-0.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
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-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523754) is N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide is C=CCNC(=O)C1=NCCO1.
What is the InChIKey of N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is DVICNRCGHZJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-8-6(10)7-9-4-5-11-7/h2H,1,3-5H2,(H,8,10).
What are the key properties of N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).