N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide

C12H20N2O2 — CID 12556877

IUPACN-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
SMILESCCCCN(C(=O)CCC)c1nc(C)co1
InChIInChI=1S/C12H20N2O2/c1-4-6-8-14(11(15)7-5-2)12-13-10(3)9-16-12/h9H,4-8H2,1-3H3
InChIKeyGQFQMCIRFMGVGQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.92
Rot. Bonds6

About N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide

N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide (PubChem CID 12556877) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
PubChem CID12556877
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide
SMILESCCCCN(C(=O)CCC)c1nc(C)co1
InChIInChI=1S/C12H20N2O2/c1-4-6-8-14(11(15)7-5-2)12-13-10(3)9-16-12/h9H,4-8H2,1-3H3
InChIKeyGQFQMCIRFMGVGQ-UHFFFAOYSA-N
XLogP2.92
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide (CID 12556877) is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide is CCCCN(C(=O)CCC)c1nc(C)co1.
What is the InChIKey of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is GQFQMCIRFMGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-8-14(11(15)7-5-2)12-13-10(3)9-16-12/h9H,4-8H2,1-3H3.
What are the key properties of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide?
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 224.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 12556877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).