N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C10H19N3O2 — CID 112603853

IUPACN-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(COC(C)C)o1
InChIInChI=1S/C10H19N3O2/c1-4-5-11-6-9-12-13-10(15-9)7-14-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyKXURHSWRVSNRDX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.49
Rot. Bonds7

About N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 112603853) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID112603853
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(COC(C)C)o1
InChIInChI=1S/C10H19N3O2/c1-4-5-11-6-9-12-13-10(15-9)7-14-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyKXURHSWRVSNRDX-UHFFFAOYSA-N
XLogP1.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2,4-dimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 114282336
[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 112603839
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
N-[[5-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103022416
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
N-[[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 103211969
N-[[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106967348
N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 112603888
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
N-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138306
N-[[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 104632921
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364

Frequently Asked Questions

What is the IUPAC name of N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 112603853) is N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(COC(C)C)o1.
What is the InChIKey of N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is KXURHSWRVSNRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-11-6-9-12-13-10(15-9)7-14-8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 112603853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).