5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

C11H15N5O — CID 43622167

IUPAC5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESNCCCCCc1nc(-c2ncccn2)no1
InChIInChI=1S/C11H15N5O/c12-6-3-1-2-5-9-15-11(16-17-9)10-13-7-4-8-14-10/h4,7-8H,1-3,5-6,12H2
InChIKeyVWVQFFPKEKBWDF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.20
Rot. Bonds6

About 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine

5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (PubChem CID 43622167) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
PubChem CID43622167
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
SMILESNCCCCCc1nc(-c2ncccn2)no1
InChIInChI=1S/C11H15N5O/c12-6-3-1-2-5-9-15-11(16-17-9)10-13-7-4-8-14-10/h4,7-8H,1-3,5-6,12H2
InChIKeyVWVQFFPKEKBWDF-UHFFFAOYSA-N
XLogP1.20
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.20
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

6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 136984329
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
6-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 79719548
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79720053
5-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103399467
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65196396
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
2-methyl-N-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60837590

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine (CID 43622167) is 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is NCCCCCc1nc(-c2ncccn2)no1.
What is the InChIKey of 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
The InChIKey is VWVQFFPKEKBWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-6-3-1-2-5-9-15-11(16-17-9)10-13-7-4-8-14-10/h4,7-8H,1-3,5-6,12H2.
What are the key properties of 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine?
5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 43622167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).