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

C11H21N5O2 — CID 106964337

IUPACN-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCCCNCc1nnc(NCCC(=O)NCC)o1
InChIInChI=1S/C11H21N5O2/c1-3-6-12-8-10-15-16-11(18-10)14-7-5-9(17)13-4-2/h12H,3-8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyWMMNKYCMKVOVHO-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.51
Rot. Bonds9

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

N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (PubChem CID 106964337) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
PubChem CID106964337
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCCCNCc1nnc(NCCC(=O)NCC)o1
InChIInChI=1S/C11H21N5O2/c1-3-6-12-8-10-15-16-11(18-10)14-7-5-9(17)13-4-2/h12H,3-8H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyWMMNKYCMKVOVHO-UHFFFAOYSA-N
XLogP0.51
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
N-(2-methoxyethyl)-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964540
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N-propylpropanamide
CID 103436886
3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098974
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106971425
N-ethyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969289
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106964385
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The IUPAC name of N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (CID 106964337) is N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The canonical SMILES for N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is CCCNCc1nnc(NCCC(=O)NCC)o1.
What is the InChIKey of N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The InChIKey is WMMNKYCMKVOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-6-12-8-10-15-16-11(18-10)14-7-5-9(17)13-4-2/h12H,3-8H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide has a molecular weight of 255.32 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is sourced from PubChem (CID 106964337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).