N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine

C10H20N4O — CID 116806185

IUPACN,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine
SMILESCCCNCc1nc(N(CC)CC)no1
InChIInChI=1S/C10H20N4O/c1-4-7-11-8-9-12-10(13-15-9)14(5-2)6-3/h11H,4-8H2,1-3H3
InChIKeyDPAHMJVNJTXICX-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.42
Rot. Bonds7

About N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 116806185) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine
PubChem CID116806185
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine
SMILESCCCNCc1nc(N(CC)CC)no1
InChIInChI=1S/C10H20N4O/c1-4-7-11-8-9-12-10(13-15-9)14(5-2)6-3/h11H,4-8H2,1-3H3
InChIKeyDPAHMJVNJTXICX-UHFFFAOYSA-N
XLogP1.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(diethylamino)-1,2,4-oxadiazol-5-yl]methanol
CID 116808898
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116806285
N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60724943
4-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135973748
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 103472622
N-ethyl-N-methyl-5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-amine
CID 116808396
N-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 113329269
ethyl 5-(propylaminomethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631652
N,N-diethyl-5-[2-methyl-4-(propylamino)pentan-3-yl]-1,2,4-oxadiazol-3-amine
CID 116809085

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine (CID 116806185) is N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine is CCCNCc1nc(N(CC)CC)no1.
What is the InChIKey of N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is DPAHMJVNJTXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-7-11-8-9-12-10(13-15-9)14(5-2)6-3/h11H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 212.30 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(propylaminomethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116806185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).