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

C11H20N4O2 — CID 91094424

IUPAC2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide
SMILESCCc1nnc(CNC(=O)C(N)C(C)(C)C)o1
InChIInChI=1S/C11H20N4O2/c1-5-7-14-15-8(17-7)6-13-10(16)9(12)11(2,3)4/h9H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyIMLLWJZRBDQCLT-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.62
Rot. Bonds4

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

2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 91094424) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide
PubChem CID91094424
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide
SMILESCCc1nnc(CNC(=O)C(N)C(C)(C)C)o1
InChIInChI=1S/C11H20N4O2/c1-5-7-14-15-8(17-7)6-13-10(16)9(12)11(2,3)4/h9H,5-6,12H2,1-4H3,(H,13,16)
InChIKeyIMLLWJZRBDQCLT-UHFFFAOYSA-N
XLogP0.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide (CID 91094424) is 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide is CCc1nnc(CNC(=O)C(N)C(C)(C)C)o1.
What is the InChIKey of 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is IMLLWJZRBDQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-7-14-15-8(17-7)6-13-10(16)9(12)11(2,3)4/h9H,5-6,12H2,1-4H3,(H,13,16).
What are the key properties of 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide?
2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 240.31 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 91094424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).