3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole

C21H34N2O3 — CID 164637253

IUPAC3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole
SMILESCCC(C)(C)C1CCC2(CC1)C[C@@H]2c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C21H34N2O3/c1-5-19(2,3)15-6-8-20(9-7-15)14-16(20)17-22-18(23-26-17)21(24-4)10-12-25-13-11-21/h15-16H,5-14H2,1-4H3/t15?,16-,20?/m1/s1
InChIKeyWDBSCRUMRFHUFT-LFDOHDQPSA-N
MW362.51 g/mol
LogP4.82
Rot. Bonds5

About 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole

3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole (PubChem CID 164637253) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole
PubChem CID164637253
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole
SMILESCCC(C)(C)C1CCC2(CC1)C[C@@H]2c1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C21H34N2O3/c1-5-19(2,3)15-6-8-20(9-7-15)14-16(20)17-22-18(23-26-17)21(24-4)10-12-25-13-11-21/h15-16H,5-14H2,1-4H3/t15?,16-,20?/m1/s1
InChIKeyWDBSCRUMRFHUFT-LFDOHDQPSA-N
XLogP4.82
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole 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

[2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742134
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116781300
5-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689978
2-ethyl-2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742037
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
2-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116744092
[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742329
3-(4-methoxyoxan-4-yl)-5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 138056173
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole (CID 164637253) is 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole is CCC(C)(C)C1CCC2(CC1)C[C@@H]2c1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
The InChIKey is WDBSCRUMRFHUFT-LFDOHDQPSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-5-19(2,3)15-6-8-20(9-7-15)14-16(20)17-22-18(23-26-17)21(24-4)10-12-25-13-11-21/h15-16H,5-14H2,1-4H3/t15?,16-,20?/m1/s1.
What are the key properties of 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole?
3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole has a molecular weight of 362.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyoxan-4-yl)-5-[(2S)-6-(2-methylbutan-2-yl)spiro[2.5]octan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 164637253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).