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

C12H23N3O2 — CID 107565588

IUPAC(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@@H](N)c1nc(C(CC)(CC)OC)no1
InChIInChI=1S/C12H23N3O2/c1-5-8-9(13)10-14-11(15-17-10)12(6-2,7-3)16-4/h9H,5-8,13H2,1-4H3/t9-/m1/s1
InChIKeyWBYRFTPEKDPOTJ-SECBINFHSA-N
MW241.33 g/mol
LogP2.53
Rot. Bonds7

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

(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 107565588) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID107565588
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@@H](N)c1nc(C(CC)(CC)OC)no1
InChIInChI=1S/C12H23N3O2/c1-5-8-9(13)10-14-11(15-17-10)12(6-2,7-3)16-4/h9H,5-8,13H2,1-4H3/t9-/m1/s1
InChIKeyWBYRFTPEKDPOTJ-SECBINFHSA-N
XLogP2.53
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909639
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741092
(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898831
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565578
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741088
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82008553
2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116740372
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116740750
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 107565588) is (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC[C@@H](N)c1nc(C(CC)(CC)OC)no1.
What is the InChIKey of (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is WBYRFTPEKDPOTJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-8-9(13)10-14-11(15-17-10)12(6-2,7-3)16-4/h9H,5-8,13H2,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 107565588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).