5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

C16H25N5OS — CID 39985790

IUPAC5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)N2CCN(Cc3csc(C)n3)CC2)n1
InChIInChI=1S/C16H25N5OS/c1-4-5-15-18-16(22-19-15)12(2)21-8-6-20(7-9-21)10-14-11-23-13(3)17-14/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyLQWFXSJPQAWXNV-GFCCVEGCSA-N
MW335.48 g/mol
LogP2.67
Rot. Bonds6

About 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 39985790) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID39985790
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)N2CCN(Cc3csc(C)n3)CC2)n1
InChIInChI=1S/C16H25N5OS/c1-4-5-15-18-16(22-19-15)12(2)21-8-6-20(7-9-21)10-14-11-23-13(3)17-14/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyLQWFXSJPQAWXNV-GFCCVEGCSA-N
XLogP2.67
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
2-ethyl-5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 97315200
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 95159602
[3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120753102
2-[[4-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853192
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 39985790) is 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@@H](C)N2CCN(Cc3csc(C)n3)CC2)n1.
What is the InChIKey of 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is LQWFXSJPQAWXNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-4-5-15-18-16(22-19-15)12(2)21-8-6-20(7-9-21)10-14-11-23-13(3)17-14/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 335.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 39985790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).