5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C15H20N2O — CID 154661009

IUPAC5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCC[C@H](C)Cc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H20N2O/c1-4-5-12(3)10-14-16-15(17-18-14)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3/t12-/m0/s1
InChIKeyUFOWJAWROOBVDT-LBPRGKRZSA-N
MW244.34 g/mol
LogP4.02
Rot. Bonds5

About 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 154661009) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID154661009
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCC[C@H](C)Cc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H20N2O/c1-4-5-12(3)10-14-16-15(17-18-14)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3/t12-/m0/s1
InChIKeyUFOWJAWROOBVDT-LBPRGKRZSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63348432
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 106850061
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 18092722
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63347983
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63344995
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
2-methyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]propan-1-ol
CID 111469837
1-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 107504625
N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 7708621
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62826780
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 154661009) is 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is CCC[C@H](C)Cc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UFOWJAWROOBVDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-12(3)10-14-16-15(17-18-14)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 244.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylpentyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154661009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).