4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine

C14H27N3OS — CID 65134138

IUPAC4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
SMILESCC(C)SCc1noc(CCC(CCN)C(C)C)n1
InChIInChI=1S/C14H27N3OS/c1-10(2)12(7-8-15)5-6-14-16-13(17-18-14)9-19-11(3)4/h10-12H,5-9,15H2,1-4H3
InChIKeyQLCRDEZEFUMYKB-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.26
Rot. Bonds9

About 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine

4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine (PubChem CID 65134138) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
PubChem CID65134138
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
SMILESCC(C)SCc1noc(CCC(CCN)C(C)C)n1
InChIInChI=1S/C14H27N3OS/c1-10(2)12(7-8-15)5-6-14-16-13(17-18-14)9-19-11(3)4/h10-12H,5-9,15H2,1-4H3
InChIKeyQLCRDEZEFUMYKB-UHFFFAOYSA-N
XLogP3.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine with MolForge

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Related Compounds

3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
CID 79405630
4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65129679
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539896
5-(3-chloropropyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134539
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631943
3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]butan-1-amine
CID 66229523
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072858
3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65133793
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65137052
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65134331
4,4-dimethyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65130040

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine (CID 65134138) is 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine is CC(C)SCc1noc(CCC(CCN)C(C)C)n1.
What is the InChIKey of 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
The InChIKey is QLCRDEZEFUMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-10(2)12(7-8-15)5-6-14-16-13(17-18-14)9-19-11(3)4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine?
4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 65134138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).