3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

C15H22N4OS — CID 63125802

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3nc(C)cs3)no2)CCNCC1
InChIInChI=1S/C15H22N4OS/c1-3-4-15(5-7-16-8-6-15)14-18-12(19-20-14)9-13-17-11(2)10-21-13/h10,16H,3-9H2,1-2H3
InChIKeyMJKUZXWWAYNCSL-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.85
Rot. Bonds5

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63125802) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63125802
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(Cc3nc(C)cs3)no2)CCNCC1
InChIInChI=1S/C15H22N4OS/c1-3-4-15(5-7-16-8-6-15)14-18-12(19-20-14)9-13-17-11(2)10-21-13/h10,16H,3-9H2,1-2H3
InChIKeyMJKUZXWWAYNCSL-UHFFFAOYSA-N
XLogP2.85
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145200
5-(2-methylpiperidin-2-yl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 104597566
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125830
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144833
2-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214248
3-tert-butyl-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126026
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 63869406
N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 65242981

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63125802) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is CCCC1(c2nc(Cc3nc(C)cs3)no2)CCNCC1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is MJKUZXWWAYNCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-4-15(5-7-16-8-6-15)14-18-12(19-20-14)9-13-17-11(2)10-21-13/h10,16H,3-9H2,1-2H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 306.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63125802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).