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

C11H15N5O — CID 115531419

IUPAC2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(-c2ccncn2)no1
InChIInChI=1S/C11H15N5O/c1-3-8(12)7(2)11-15-10(16-17-11)9-4-5-13-6-14-9/h4-8H,3,12H2,1-2H3
InChIKeyIBOJNSNGPWOMDZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.37
Rot. Bonds4

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

2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine (PubChem CID 115531419) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
PubChem CID115531419
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(-c2ccncn2)no1
InChIInChI=1S/C11H15N5O/c1-3-8(12)7(2)11-15-10(16-17-11)9-4-5-13-6-14-9/h4-8H,3,12H2,1-2H3
InChIKeyIBOJNSNGPWOMDZ-UHFFFAOYSA-N
XLogP1.37
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65197757
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 115528737
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 115528681
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 107504642
2-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63561633
1,1,1-trifluoro-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 115528994
3-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 115531354
1-phenyl-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 115528982
4-methyl-1-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 115531350
ethyl 3-pyrimidin-4-yl-1,2,4-oxadiazole-5-carboxylate
CID 53206373
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103084077

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The IUPAC name of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine (CID 115531419) is 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine.
What is the SMILES notation for 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The canonical SMILES for 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine is CCC(N)C(C)c1nc(-c2ccncn2)no1.
What is the InChIKey of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
The InChIKey is IBOJNSNGPWOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-8(12)7(2)11-15-10(16-17-11)9-4-5-13-6-14-9/h4-8H,3,12H2,1-2H3.
What are the key properties of 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine?
2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine is sourced from PubChem (CID 115531419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).