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

C7H13N3O — CID 83872807

IUPAC4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCc1nc(CCCCN)no1
InChIInChI=1S/C7H13N3O/c1-6-9-7(10-11-6)4-2-3-5-8/h2-5,8H2,1H3
InChIKeyFMDCLSJZFKINCW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds4

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

4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine (PubChem CID 83872807) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
PubChem CID83872807
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
SMILESCc1nc(CCCCN)no1
InChIInChI=1S/C7H13N3O/c1-6-9-7(10-11-6)4-2-3-5-8/h2-5,8H2,1H3
InChIKeyFMDCLSJZFKINCW-UHFFFAOYSA-N
XLogP0.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 143984808
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
3-[12-(5-amino-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-amine
CID 71378288
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104632648
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63890830
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 62694108
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenyl]methanamine
CID 163469065
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The IUPAC name of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine (CID 83872807) is 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The canonical SMILES for 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine is Cc1nc(CCCCN)no1.
What is the InChIKey of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
The InChIKey is FMDCLSJZFKINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-9-7(10-11-6)4-2-3-5-8/h2-5,8H2,1H3.
What are the key properties of 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine?
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine is sourced from PubChem (CID 83872807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).