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

C11H19ClN4O2 — CID 106958401

IUPAC2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1nnc(CCCl)o1
InChIInChI=1S/C11H19ClN4O2/c1-7(2)6-13-10(17)8(3)14-11-16-15-9(18-11)4-5-12/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyXBZXMVKNRWWDIM-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.42
Rot. Bonds7

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

2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 106958401) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
PubChem CID106958401
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1nnc(CCCl)o1
InChIInChI=1S/C11H19ClN4O2/c1-7(2)6-13-10(17)8(3)14-11-16-15-9(18-11)4-5-12/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyXBZXMVKNRWWDIM-UHFFFAOYSA-N
XLogP1.42
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964132
2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106957266
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methylpropyl)acetamide
CID 106958432
N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 83885775
5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957575
5-(2-chloroethyl)-N-[(2-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106957914
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121
5-(2-chloroethyl)-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957184
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106964276
N-tert-butyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964227
5-(2-chloroethyl)-N-propyl-1,3,4-oxadiazol-2-amine
CID 106956296

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide (CID 106958401) is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Nc1nnc(CCCl)o1.
What is the InChIKey of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is XBZXMVKNRWWDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-7(2)6-13-10(17)8(3)14-11-16-15-9(18-11)4-5-12/h7-8H,4-6H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide?
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 274.75 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106958401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).