N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide

C13H22N2O2 — CID 12556910

IUPACN-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide
SMILESCCCCN(C(=O)CCC)c1nc(C)c(C)o1
InChIInChI=1S/C13H22N2O2/c1-5-7-9-15(12(16)8-6-2)13-14-10(3)11(4)17-13/h5-9H2,1-4H3
InChIKeyYBBCMBBSVKFLHN-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.22
Rot. Bonds6

About N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide

N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide (PubChem CID 12556910) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide
PubChem CID12556910
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide
SMILESCCCCN(C(=O)CCC)c1nc(C)c(C)o1
InChIInChI=1S/C13H22N2O2/c1-5-7-9-15(12(16)8-6-2)13-14-10(3)11(4)17-13/h5-9H2,1-4H3
InChIKeyYBBCMBBSVKFLHN-UHFFFAOYSA-N
XLogP3.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide (CID 12556910) is N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide is CCCCN(C(=O)CCC)c1nc(C)c(C)o1.
What is the InChIKey of N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is YBBCMBBSVKFLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-7-9-15(12(16)8-6-2)13-14-10(3)11(4)17-13/h5-9H2,1-4H3.
What are the key properties of N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide?
N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 238.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4,5-dimethyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 12556910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).