1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C16H23N3OS — CID 106850061

IUPAC1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(-c2ccc(SCC)cc2)no1)NC
InChIInChI=1S/C16H23N3OS/c1-4-6-13(17-3)11-15-18-16(19-20-15)12-7-9-14(10-8-12)21-5-2/h7-10,13,17H,4-6,11H2,1-3H3
InChIKeySLKVUZKQFIIRQG-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.78
Rot. Bonds8

About 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 106850061) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID106850061
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCCC(Cc1nc(-c2ccc(SCC)cc2)no1)NC
InChIInChI=1S/C16H23N3OS/c1-4-6-13(17-3)11-15-18-16(19-20-15)12-7-9-14(10-8-12)21-5-2/h7-10,13,17H,4-6,11H2,1-3H3
InChIKeySLKVUZKQFIIRQG-UHFFFAOYSA-N
XLogP3.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63347983
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348390
5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 154661009
N-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 81147624
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96663539
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565674
N-methyl-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65198229
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106850000
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350300
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107924504
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 107282915

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 106850061) is 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCCC(Cc1nc(-c2ccc(SCC)cc2)no1)NC.
What is the InChIKey of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is SLKVUZKQFIIRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-6-13(17-3)11-15-18-16(19-20-15)12-7-9-14(10-8-12)21-5-2/h7-10,13,17H,4-6,11H2,1-3H3.
What are the key properties of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 305.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 106850061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).