1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

C14H15N5O — CID 137013136

IUPAC1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C14H15N5O/c15-11(7-6-10-4-2-1-3-5-10)14-18-13(19-20-14)12-16-8-9-17-12/h1-5,8-9,11H,6-7,15H2,(H,16,17)
InChIKeyZKMPDIFBNQIYBN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine

1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (PubChem CID 137013136) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
PubChem CID137013136
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C14H15N5O/c15-11(7-6-10-4-2-1-3-5-10)14-18-13(19-20-14)12-16-8-9-17-12/h1-5,8-9,11H,6-7,15H2,(H,16,17)
InChIKeyZKMPDIFBNQIYBN-UHFFFAOYSA-N
XLogP2.09
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine (CID 137013136) is 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1nc(-c2ncc[nH]2)no1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
The InChIKey is ZKMPDIFBNQIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-11(7-6-10-4-2-1-3-5-10)14-18-13(19-20-14)12-16-8-9-17-12/h1-5,8-9,11H,6-7,15H2,(H,16,17).
What are the key properties of 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine?
1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine has a molecular weight of 269.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine is sourced from PubChem (CID 137013136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).