3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide

C10H18N4O2 — CID 60977181

IUPAC3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1noc(CNCCC(=O)NC(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-7(2)12-9(15)4-5-11-6-10-13-8(3)14-16-10/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyHZKBJTCVLPWGKE-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.38
Rot. Bonds6

About 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide

3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 60977181) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
PubChem CID60977181
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCc1noc(CNCCC(=O)NC(C)C)n1
InChIInChI=1S/C10H18N4O2/c1-7(2)12-9(15)4-5-11-6-10-13-8(3)14-16-10/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyHZKBJTCVLPWGKE-UHFFFAOYSA-N
XLogP0.38
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide (CID 60977181) is 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide is Cc1noc(CNCCC(=O)NC(C)C)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is HZKBJTCVLPWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)12-9(15)4-5-11-6-10-13-8(3)14-16-10/h7,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide?
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 226.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60977181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).