2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide

C13H20N2O2 — CID 21323631

IUPAC2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESC=CC(C)(C)N(C(=O)C(C)C)c1nc(C)co1
InChIInChI=1S/C13H20N2O2/c1-7-13(5,6)15(11(16)9(2)3)12-14-10(4)8-17-12/h7-9H,1H2,2-6H3
InChIKeyKYBCACRIIGHKFK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.94
Rot. Bonds4

About 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide

2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide (PubChem CID 21323631) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide
PubChem CID21323631
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide
SMILESC=CC(C)(C)N(C(=O)C(C)C)c1nc(C)co1
InChIInChI=1S/C13H20N2O2/c1-7-13(5,6)15(11(16)9(2)3)12-14-10(4)8-17-12/h7-9H,1H2,2-6H3
InChIKeyKYBCACRIIGHKFK-UHFFFAOYSA-N
XLogP2.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide (CID 21323631) is 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide is C=CC(C)(C)N(C(=O)C(C)C)c1nc(C)co1.
What is the InChIKey of 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is KYBCACRIIGHKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-7-13(5,6)15(11(16)9(2)3)12-14-10(4)8-17-12/h7-9H,1H2,2-6H3.
What are the key properties of 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide?
2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbut-3-en-2-yl)-N-(4-methyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 21323631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).