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

C11H20N4O2 — CID 106960664

IUPACN-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCC2CCOC2)o1
InChIInChI=1S/C11H20N4O2/c1-2-4-12-7-10-14-15-11(17-10)13-6-9-3-5-16-8-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyRHJQCEXQZOXIEL-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.02
Rot. Bonds7

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

N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960664) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960664
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NCC2CCOC2)o1
InChIInChI=1S/C11H20N4O2/c1-2-4-12-7-10-14-15-11(17-10)13-6-9-3-5-16-8-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyRHJQCEXQZOXIEL-UHFFFAOYSA-N
XLogP1.02
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.02
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

N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
5-[(2-methylpropylamino)methyl]-N-(oxan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971002
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969613
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969389
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106969077
5-(ethylaminomethyl)-N-[(3-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114131448
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106960664) is N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NCC2CCOC2)o1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RHJQCEXQZOXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-4-12-7-10-14-15-11(17-10)13-6-9-3-5-16-8-9/h9,12H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.31 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).