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

C12H21N3O — CID 65414274

IUPAC1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C12H21N3O/c1-3-10(13)7-11-14-12(15-16-11)9-5-4-8(2)6-9/h8-10H,3-7,13H2,1-2H3
InChIKeyDQEPAIIBVHAFNQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.25
Rot. Bonds4

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

1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65414274) 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-2-amine.

Molecular Properties

Compound Name1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65414274
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(N)Cc1nc(C2CCC(C)C2)no1
InChIInChI=1S/C12H21N3O/c1-3-10(13)7-11-14-12(15-16-11)9-5-4-8(2)6-9/h8-10H,3-7,13H2,1-2H3
InChIKeyDQEPAIIBVHAFNQ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65404122
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401429
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072758
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
3-methyl-4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65400431
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65334686
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115997649
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 65403537
1-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845271

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65414274) is 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(N)Cc1nc(C2CCC(C)C2)no1.
What is the InChIKey of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is DQEPAIIBVHAFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10(13)7-11-14-12(15-16-11)9-5-4-8(2)6-9/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.25, 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-2-amine is sourced from PubChem (CID 65414274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).