2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

C10H17N5O3 — CID 106405912

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCCC(CC)(C(=O)NCc1ncon1)C(N)=NO
InChIInChI=1S/C10H17N5O3/c1-3-10(4-2,8(11)14-17)9(16)12-5-7-13-6-18-15-7/h6,17H,3-5H2,1-2H3,(H2,11,14)(H,12,16)
InChIKeyDCZPGJUZSLLEMD-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.24
Rot. Bonds6

About 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (PubChem CID 106405912) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
PubChem CID106405912
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
SMILESCCC(CC)(C(=O)NCc1ncon1)C(N)=NO
InChIInChI=1S/C10H17N5O3/c1-3-10(4-2,8(11)14-17)9(16)12-5-7-13-6-18-15-7/h6,17H,3-5H2,1-2H3,(H2,11,14)(H,12,16)
InChIKeyDCZPGJUZSLLEMD-UHFFFAOYSA-N
XLogP0.24
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide (CID 106405912) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is CCC(CC)(C(=O)NCc1ncon1)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
The InChIKey is DCZPGJUZSLLEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-10(4-2,8(11)14-17)9(16)12-5-7-13-6-18-15-7/h6,17H,3-5H2,1-2H3,(H2,11,14)(H,12,16).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide has a molecular weight of 255.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide is sourced from PubChem (CID 106405912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).