2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C17H23N3O — CID 81066810

IUPAC2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)Cc1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C17H23N3O/c1-13(12-18)11-15-19-16(20-21-15)17(9-5-6-10-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12,18H2,1H3
InChIKeyMMWIBQASJQQYEQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.07
Rot. Bonds5

About 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 81066810) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID81066810
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)Cc1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C17H23N3O/c1-13(12-18)11-15-19-16(20-21-15)17(9-5-6-10-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12,18H2,1H3
InChIKeyMMWIBQASJQQYEQ-UHFFFAOYSA-N
XLogP3.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908
2-[[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073143
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349538
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63349444
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79481889
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836886
(1R)-1-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 81066810) is 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)Cc1nc(C2(c3ccccc3)CCCC2)no1.
What is the InChIKey of 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is MMWIBQASJQQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(12-18)11-15-19-16(20-21-15)17(9-5-6-10-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12,18H2,1H3.
What are the key properties of 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 81066810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).