1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C12H21N3O — CID 65402444

IUPAC1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(C2CCC(C)C2)no1
InChIInChI=1S/C12H21N3O/c1-3-4-10(13)12-14-11(15-16-12)9-6-5-8(2)7-9/h8-10H,3-7,13H2,1-2H3
InChIKeyMPNYGPWMJWMZGU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.77
Rot. Bonds4

About 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 65402444) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID65402444
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(C2CCC(C)C2)no1
InChIInChI=1S/C12H21N3O/c1-3-4-10(13)12-14-11(15-16-12)9-6-5-8(2)7-9/h8-10H,3-7,13H2,1-2H3
InChIKeyMPNYGPWMJWMZGU-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65402446
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
(1S)-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902129
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837020
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144988
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145004
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65414274
(1R)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565401

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 65402444) is 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(N)c1nc(C2CCC(C)C2)no1.
What is the InChIKey of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is MPNYGPWMJWMZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-10(13)12-14-11(15-16-12)9-6-5-8(2)7-9/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 65402444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).