[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

C17H21N3O — CID 115433755

IUPAC[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(C3(c4ccccc4)CC3)no2)CCCC1
InChIInChI=1S/C17H21N3O/c18-12-16(8-4-5-9-16)15-19-14(20-21-15)17(10-11-17)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,18H2
InChIKeyIIQOVOANVMFTNE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.92
Rot. Bonds4

About [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine

[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 115433755) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID115433755
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(C3(c4ccccc4)CC3)no2)CCCC1
InChIInChI=1S/C17H21N3O/c18-12-16(8-4-5-9-16)15-19-14(20-21-15)17(10-11-17)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,18H2
InChIKeyIIQOVOANVMFTNE-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 115433755) is [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(C3(c4ccccc4)CC3)no2)CCCC1.
What is the InChIKey of [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is IIQOVOANVMFTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-12-16(8-4-5-9-16)15-19-14(20-21-15)17(10-11-17)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,18H2.
What are the key properties of [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 115433755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).