N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide

C12H20N2O2 — CID 12556854

IUPACN-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCN(C(=O)C(C)C)c1ncc(C)o1
InChIInChI=1S/C12H20N2O2/c1-5-6-7-14(11(15)9(2)3)12-13-8-10(4)16-12/h8-9H,5-7H2,1-4H3
InChIKeyOYSBQIYYPMWEGL-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.77
Rot. Bonds5

About N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide

N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide (PubChem CID 12556854) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide
PubChem CID12556854
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCN(C(=O)C(C)C)c1ncc(C)o1
InChIInChI=1S/C12H20N2O2/c1-5-6-7-14(11(15)9(2)3)12-13-8-10(4)16-12/h8-9H,5-7H2,1-4H3
InChIKeyOYSBQIYYPMWEGL-UHFFFAOYSA-N
XLogP2.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide (CID 12556854) is N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide is CCCCN(C(=O)C(C)C)c1ncc(C)o1.
What is the InChIKey of N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is OYSBQIYYPMWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-6-7-14(11(15)9(2)3)12-13-8-10(4)16-12/h8-9H,5-7H2,1-4H3.
What are the key properties of N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide?
N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(5-methyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 12556854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).