2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide

C12H15N3O2 — CID 136555988

IUPAC2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)C(C#N)=Cc1oc(C)nc1C
InChIInChI=1S/C12H15N3O2/c1-4-5-14-12(16)10(7-13)6-11-8(2)15-9(3)17-11/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyQANLREGDVIXUFH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.72
Rot. Bonds4

About 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide

2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide (PubChem CID 136555988) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide
PubChem CID136555988
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)C(C#N)=Cc1oc(C)nc1C
InChIInChI=1S/C12H15N3O2/c1-4-5-14-12(16)10(7-13)6-11-8(2)15-9(3)17-11/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyQANLREGDVIXUFH-UHFFFAOYSA-N
XLogP1.72
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide?
The IUPAC name of 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide (CID 136555988) is 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide is CCCNC(=O)C(C#N)=Cc1oc(C)nc1C.
What is the InChIKey of 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide?
The InChIKey is QANLREGDVIXUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-5-14-12(16)10(7-13)6-11-8(2)15-9(3)17-11/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide?
2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide has a molecular weight of 233.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2,4-dimethyl-1,3-oxazol-5-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 136555988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).