N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C11H15N5O — CID 62853163

IUPACN-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCNCC(C)c1nc(-c2ncccn2)no1
InChIInChI=1S/C11H15N5O/c1-3-12-7-8(2)11-15-10(16-17-11)9-13-5-4-6-14-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyHWOWDTBJHUVBOD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.24
Rot. Bonds5

About N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 62853163) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID62853163
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCNCC(C)c1nc(-c2ncccn2)no1
InChIInChI=1S/C11H15N5O/c1-3-12-7-8(2)11-15-10(16-17-11)9-13-5-4-6-14-9/h4-6,8,12H,3,7H2,1-2H3
InChIKeyHWOWDTBJHUVBOD-UHFFFAOYSA-N
XLogP1.24
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 62853163) is N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CCNCC(C)c1nc(-c2ncccn2)no1.
What is the InChIKey of N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is HWOWDTBJHUVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-12-7-8(2)11-15-10(16-17-11)9-13-5-4-6-14-9/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 62853163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).