2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide

C11H20N4O2 — CID 106397226

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1ncon1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)4-8(5-12)10(16)13-6-9-14-7-17-15-9/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyDNFNPNXBCHKMRZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.70
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide (PubChem CID 106397226) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
PubChem CID106397226
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1ncon1
InChIInChI=1S/C11H20N4O2/c1-11(2,3)4-8(5-12)10(16)13-6-9-14-7-17-15-9/h7-8H,4-6,12H2,1-3H3,(H,13,16)
InChIKeyDNFNPNXBCHKMRZ-UHFFFAOYSA-N
XLogP0.70
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide (CID 106397226) is 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide is CC(C)(C)CC(CN)C(=O)NCc1ncon1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
The InChIKey is DNFNPNXBCHKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)4-8(5-12)10(16)13-6-9-14-7-17-15-9/h7-8H,4-6,12H2,1-3H3,(H,13,16).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide has a molecular weight of 240.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pentanamide is sourced from PubChem (CID 106397226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).