3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide

C10H17ClN4O2 — CID 106959222

IUPAC3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nnc(CCCl)o1
InChIInChI=1S/C10H17ClN4O2/c1-7(9(16)12-2)6-15(3)10-14-13-8(17-10)4-5-11/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyQUVMEJADGZKYRH-UHFFFAOYSA-N
MW260.73 g/mol
LogP0.67
Rot. Bonds6

About 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide

3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106959222) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106959222
Molecular FormulaC10H17ClN4O2
Molecular Weight260.73 g/mol
Exact Mass260.10
IUPAC Name3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nnc(CCCl)o1
InChIInChI=1S/C10H17ClN4O2/c1-7(9(16)12-2)6-15(3)10-14-13-8(17-10)4-5-11/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyQUVMEJADGZKYRH-UHFFFAOYSA-N
XLogP0.67
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 50.67
H-Bond Donors ≤ 51
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 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide (CID 106959222) is 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nnc(CCCl)o1.
What is the InChIKey of 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is QUVMEJADGZKYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-7(9(16)12-2)6-15(3)10-14-13-8(17-10)4-5-11/h7H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 260.73 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106959222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).