N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine

C9H16N4O2 — CID 91579922

IUPACN-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
SMILESc1noc(NCCCN2CCOCC2)n1
InChIInChI=1S/C9H16N4O2/c1(2-10-9-11-8-12-15-9)3-13-4-6-14-7-5-13/h8H,1-7H2,(H,10,11,12)
InChIKeyUIDBJQNIWLIOTM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.20
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine

N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 91579922) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID91579922
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
SMILESc1noc(NCCCN2CCOCC2)n1
InChIInChI=1S/C9H16N4O2/c1(2-10-9-11-8-12-15-9)3-13-4-6-14-7-5-13/h8H,1-7H2,(H,10,11,12)
InChIKeyUIDBJQNIWLIOTM-UHFFFAOYSA-N
XLogP0.20
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
6-methoxy-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66325980
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115606272
3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359399
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
6-chloro-N-(3-morpholin-4-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63729585

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine (CID 91579922) is N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine is c1noc(NCCCN2CCOCC2)n1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is UIDBJQNIWLIOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1(2-10-9-11-8-12-15-9)3-13-4-6-14-7-5-13/h8H,1-7H2,(H,10,11,12).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine?
N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 212.25 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 91579922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).