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

C13H25N5O2 — CID 106964253

IUPACN,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCCCNCc1nnc(NC(C)C(=O)N(CC)CC)o1
InChIInChI=1S/C13H25N5O2/c1-5-8-14-9-11-16-17-13(20-11)15-10(4)12(19)18(6-2)7-3/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyHSKHAHKOYASTSB-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.24
Rot. Bonds9

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

N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (PubChem CID 106964253) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
PubChem CID106964253
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC NameN,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
SMILESCCCNCc1nnc(NC(C)C(=O)N(CC)CC)o1
InChIInChI=1S/C13H25N5O2/c1-5-8-14-9-11-16-17-13(20-11)15-10(4)12(19)18(6-2)7-3/h10,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyHSKHAHKOYASTSB-UHFFFAOYSA-N
XLogP1.24
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
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-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959991
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964121
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
CID 106965766
N-[[5-(2,4-dimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 114282336
N-cyclopropyl-2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964200
N-(1-phenylpropan-2-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960985
3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098974
N-ethyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964337
5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962100
5-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961616
4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 106966692
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide (CID 106964253) is N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is CCCNCc1nnc(NC(C)C(=O)N(CC)CC)o1.
What is the InChIKey of N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
The InChIKey is HSKHAHKOYASTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-5-8-14-9-11-16-17-13(20-11)15-10(4)12(19)18(6-2)7-3/h10,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide?
N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide has a molecular weight of 283.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide is sourced from PubChem (CID 106964253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).