2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide

C7H11ClN4O2 — CID 106957266

IUPAC2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nnc(CCl)o1
InChIInChI=1S/C7H11ClN4O2/c1-4(6(13)9-2)10-7-12-11-5(3-8)14-7/h4H,3H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyKRBSGGUMSPUSTL-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.35
Rot. Bonds4

About 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide (PubChem CID 106957266) has the molecular formula C7H11ClN4O2 and a molecular weight of 218.64 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
PubChem CID106957266
Molecular FormulaC7H11ClN4O2
Molecular Weight218.64 g/mol
Exact Mass218.06
IUPAC Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nnc(CCl)o1
InChIInChI=1S/C7H11ClN4O2/c1-4(6(13)9-2)10-7-12-11-5(3-8)14-7/h4H,3H2,1-2H3,(H,9,13)(H,10,12)
InChIKeyKRBSGGUMSPUSTL-UHFFFAOYSA-N
XLogP0.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide (CID 106957266) is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nnc(CCl)o1.
What is the InChIKey of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
The InChIKey is KRBSGGUMSPUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O2/c1-4(6(13)9-2)10-7-12-11-5(3-8)14-7/h4H,3H2,1-2H3,(H,9,13)(H,10,12).
What are the key properties of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide?
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide has a molecular weight of 218.64 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 106957266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).