N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide

C11H16N2O2 — CID 130642952

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCc1oc(C)nc1C
InChIInChI=1S/C11H16N2O2/c1-7(2)5-11(14)12-6-10-8(3)13-9(4)15-10/h5H,6H2,1-4H3,(H,12,14)
InChIKeyVTIPUEOLWLJSMQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide (PubChem CID 130642952) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide
PubChem CID130642952
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCc1oc(C)nc1C
InChIInChI=1S/C11H16N2O2/c1-7(2)5-11(14)12-6-10-8(3)13-9(4)15-10/h5H,6H2,1-4H3,(H,12,14)
InChIKeyVTIPUEOLWLJSMQ-UHFFFAOYSA-N
XLogP1.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide (CID 130642952) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCc1oc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide?
The InChIKey is VTIPUEOLWLJSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)5-11(14)12-6-10-8(3)13-9(4)15-10/h5H,6H2,1-4H3,(H,12,14).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide has a molecular weight of 208.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 130642952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).