(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

C13H23N3O2 — CID 104899668

IUPAC(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCOC1(c2noc([C@@H](N)C(C)(C)C)n2)CCCC1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)9(14)10-15-11(16-18-10)13(17-4)7-5-6-8-13/h9H,5-8,14H2,1-4H3/t9-/m1/s1
InChIKeyDCKODBBCGQRRQA-SECBINFHSA-N
MW253.35 g/mol
LogP2.53
Rot. Bonds3

About (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine

(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (PubChem CID 104899668) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
PubChem CID104899668
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
SMILESCOC1(c2noc([C@@H](N)C(C)(C)C)n2)CCCC1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)9(14)10-15-11(16-18-10)13(17-4)7-5-6-8-13/h9H,5-8,14H2,1-4H3/t9-/m1/s1
InChIKeyDCKODBBCGQRRQA-SECBINFHSA-N
XLogP2.53
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-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-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899717
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116701306
1-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116742359
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 104609629
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909661
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine (CID 104899668) is (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is COC1(c2noc([C@@H](N)C(C)(C)C)n2)CCCC1.
What is the InChIKey of (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is DCKODBBCGQRRQA-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12(2,3)9(14)10-15-11(16-18-10)13(17-4)7-5-6-8-13/h9H,5-8,14H2,1-4H3/t9-/m1/s1.
What are the key properties of (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine?
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 104899668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).