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

C14H18N4O2S — CID 41433726

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H18N4O2S/c1-10-12(11(2)20-16-10)9-13(19)17-4-6-18(7-5-17)14-15-3-8-21-14/h3,8H,4-7,9H2,1-2H3
InChIKeyGFVITTLKEKEPOD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.64
Rot. Bonds3

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 41433726) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID41433726
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H18N4O2S/c1-10-12(11(2)20-16-10)9-13(19)17-4-6-18(7-5-17)14-15-3-8-21-14/h3,8H,4-7,9H2,1-2H3
InChIKeyGFVITTLKEKEPOD-UHFFFAOYSA-N
XLogP1.64
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 41433726) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is GFVITTLKEKEPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-12(11(2)20-16-10)9-13(19)17-4-6-18(7-5-17)14-15-3-8-21-14/h3,8H,4-7,9H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 306.39 g/mol, XLogP of 1.64, 3 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-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 41433726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).