3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C15H23N5OS — CID 31419189

IUPAC3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H23N5OS/c1-11(12-17-13(18-21-12)15(2,3)4)19-6-8-20(9-7-19)14-16-5-10-22-14/h5,10-11H,6-9H2,1-4H3/t11-/m0/s1
InChIKeyGKNBYUQIZQSDRO-NSHDSACASA-N
MW321.45 g/mol
LogP2.71
Rot. Bonds3

About 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 31419189) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID31419189
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H23N5OS/c1-11(12-17-13(18-21-12)15(2,3)4)19-6-8-20(9-7-19)14-16-5-10-22-14/h5,10-11H,6-9H2,1-4H3/t11-/m0/s1
InChIKeyGKNBYUQIZQSDRO-NSHDSACASA-N
XLogP2.71
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45805759
3-Propyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45805948
3-(2-Methylpropyl)-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45806406
5-Propan-2-yl-3-[[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 48393737
3-Cyclopropyl-5-[[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 48394148
5-Methyl-3-[[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 48394517
5-Ethyl-3-[[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 48441421
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53192023
(2S)-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(1,3-thiazol-2-yl)propanamide
CID 95136635
4-[1-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 132345556
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 136529966
2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 164637168

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 31419189) is 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is C[C@@H](c1nc(C(C)(C)C)no1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is GKNBYUQIZQSDRO-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5OS/c1-11(12-17-13(18-21-12)15(2,3)4)19-6-8-20(9-7-19)14-16-5-10-22-14/h5,10-11H,6-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 321.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 31419189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).