4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C10H18N4O2 — CID 116807436

IUPAC4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESNCCCCc1nc(N2CCOCC2)no1
InChIInChI=1S/C10H18N4O2/c11-4-2-1-3-9-12-10(13-16-9)14-5-7-15-8-6-14/h1-8,11H2
InChIKeyRIANVTQHFXCFHX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.19
Rot. Bonds5

About 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 116807436) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID116807436
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESNCCCCc1nc(N2CCOCC2)no1
InChIInChI=1S/C10H18N4O2/c11-4-2-1-3-9-12-10(13-16-9)14-5-7-15-8-6-14/h1-8,11H2
InChIKeyRIANVTQHFXCFHX-UHFFFAOYSA-N
XLogP0.19
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.19
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-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809224
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 116807402
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 116807359
[1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 116807476
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807598
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 116807436) is 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is NCCCCc1nc(N2CCOCC2)no1.
What is the InChIKey of 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is RIANVTQHFXCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c11-4-2-1-3-9-12-10(13-16-9)14-5-7-15-8-6-14/h1-8,11H2.
What are the key properties of 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 226.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 116807436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).