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

C6H11N3O — CID 82238026

IUPACN-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCNCCCc1ncno1
InChIInChI=1S/C6H11N3O/c1-7-4-2-3-6-8-5-9-10-6/h5,7H,2-4H2,1H3
InChIKeyOIBDRNOJCMWEQU-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.22
Rot. Bonds4

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

N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 82238026) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID82238026
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCNCCCc1ncno1
InChIInChI=1S/C6H11N3O/c1-7-4-2-3-6-8-5-9-10-6/h5,7H,2-4H2,1H3
InChIKeyOIBDRNOJCMWEQU-UHFFFAOYSA-N
XLogP0.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-3-(1,2,4-oxadiazol-5-yl)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

1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
5-(5-methoxypentyl)-1,2,4-oxadiazole
CID 67274675
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
5-(3-propoxypropyl)-1,2,4-oxadiazole
CID 91468959
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
5-ethyl-1,2,4-oxadiazole
CID 19928681
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106399887
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutanamine
CID 106394778

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine (CID 82238026) is N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine is CNCCCc1ncno1.
What is the InChIKey of N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is OIBDRNOJCMWEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-7-4-2-3-6-8-5-9-10-6/h5,7H,2-4H2,1H3.
What are the key properties of N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine?
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 82238026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).