3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide

C14H26N4O3 — CID 119817731

IUPAC3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCC(C)COC(C)c1noc(CN(C)C(=O)CC(C)N)n1
InChIInChI=1S/C14H26N4O3/c1-9(2)8-20-11(4)14-16-12(21-17-14)7-18(5)13(19)6-10(3)15/h9-11H,6-8,15H2,1-5H3
InChIKeyMRUJUHDTLYQPMN-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.50
Rot. Bonds8

About 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide

3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 119817731) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID119817731
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCC(C)COC(C)c1noc(CN(C)C(=O)CC(C)N)n1
InChIInChI=1S/C14H26N4O3/c1-9(2)8-20-11(4)14-16-12(21-17-14)7-18(5)13(19)6-10(3)15/h9-11H,6-8,15H2,1-5H3
InChIKeyMRUJUHDTLYQPMN-UHFFFAOYSA-N
XLogP1.50
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 119817731) is 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide is CC(C)COC(C)c1noc(CN(C)C(=O)CC(C)N)n1.
What is the InChIKey of 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is MRUJUHDTLYQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)8-20-11(4)14-16-12(21-17-14)7-18(5)13(19)6-10(3)15/h9-11H,6-8,15H2,1-5H3.
What are the key properties of 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide?
3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 298.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 119817731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).