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

C11H19ClN4O2 — CID 106958431

IUPAC2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1nnc(C(C)Cl)o1
InChIInChI=1S/C11H19ClN4O2/c1-7(2)5-13-9(17)6-16(4)11-15-14-10(18-11)8(3)12/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyPNSDMPXEOYUSTE-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.58
Rot. Bonds6

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

2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 106958431) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID106958431
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1nnc(C(C)Cl)o1
InChIInChI=1S/C11H19ClN4O2/c1-7(2)5-13-9(17)6-16(4)11-15-14-10(18-11)8(3)12/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKeyPNSDMPXEOYUSTE-UHFFFAOYSA-N
XLogP1.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.58
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 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide (CID 106958431) is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1nnc(C(C)Cl)o1.
What is the InChIKey of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is PNSDMPXEOYUSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-7(2)5-13-9(17)6-16(4)11-15-14-10(18-11)8(3)12/h7-8H,5-6H2,1-4H3,(H,13,17).
What are the key properties of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide?
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 274.75 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106958431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).