5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

C17H27N5O2 — CID 95159602

IUPAC5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-5-6-15-19-17(24-20-15)13(3)22-9-7-21(8-10-22)11-16-18-12(2)14(4)23-16/h13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyGXRZTWYVEIQFQT-ZDUSSCGKSA-N
MW333.44 g/mol
LogP2.51
Rot. Bonds6

About 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 95159602) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID95159602
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-5-6-15-19-17(24-20-15)13(3)22-9-7-21(8-10-22)11-16-18-12(2)14(4)23-16/h13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyGXRZTWYVEIQFQT-ZDUSSCGKSA-N
XLogP2.51
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
5-[(1R)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 39985790
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propanoic acid
CID 62310484
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
2-benzyl-5-[[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895225
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
3-[(1R)-1-ethoxyethyl]-5-[[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 95902837
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 51113077
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

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 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) is 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)n1.
What is the InChIKey of 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is GXRZTWYVEIQFQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-5-6-15-19-17(24-20-15)13(3)22-9-7-21(8-10-22)11-16-18-12(2)14(4)23-16/h13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 95159602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).