2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C17H24N4O2S — CID 56819377

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCc1nc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)cs1
InChIInChI=1S/C17H24N4O2S/c1-4-16-18-14(11-24-16)10-20-5-7-21(8-6-20)17(22)9-15-12(2)19-23-13(15)3/h11H,4-10H2,1-3H3
InChIKeyVZGYSLFIXQZBHD-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.20
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 56819377) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID56819377
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCc1nc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)cs1
InChIInChI=1S/C17H24N4O2S/c1-4-16-18-14(11-24-16)10-20-5-7-21(8-6-20)17(22)9-15-12(2)19-23-13(15)3/h11H,4-10H2,1-3H3
InChIKeyVZGYSLFIXQZBHD-UHFFFAOYSA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 45818370
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47866276
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 48573609
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 53499132
(5-Cyclopropyl-1,2-oxazol-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 53504760
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53521605
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53603021
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 53607190
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53607490
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614108
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53614143
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 53615038

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 56819377) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is CCc1nc(CN2CCN(C(=O)Cc3c(C)noc3C)CC2)cs1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is VZGYSLFIXQZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-16-18-14(11-24-16)10-20-5-7-21(8-6-20)17(22)9-15-12(2)19-23-13(15)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 348.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56819377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).