(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone

C17H23N3O2S — CID 75508127

IUPAC(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C(C)c3ccsc3)CC2)no1
InChIInChI=1S/C17H23N3O2S/c1-12(2)16-10-15(18-22-16)17(21)20-7-5-19(6-8-20)13(3)14-4-9-23-11-14/h4,9-13H,5-8H2,1-3H3
InChIKeyTYTUFKSMSHWVFC-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.38
Rot. Bonds4

About (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone

(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone (PubChem CID 75508127) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
PubChem CID75508127
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C(C)c3ccsc3)CC2)no1
InChIInChI=1S/C17H23N3O2S/c1-12(2)16-10-15(18-22-16)17(21)20-7-5-19(6-8-20)13(3)14-4-9-23-11-14/h4,9-13H,5-8H2,1-3H3
InChIKeyTYTUFKSMSHWVFC-UHFFFAOYSA-N
XLogP3.38
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 166268517
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
3-[4-(1-thiophen-3-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 136531723
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone (CID 75508127) is (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCN(C(C)c3ccsc3)CC2)no1.
What is the InChIKey of (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The InChIKey is TYTUFKSMSHWVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(2)16-10-15(18-22-16)17(21)20-7-5-19(6-8-20)13(3)14-4-9-23-11-14/h4,9-13H,5-8H2,1-3H3.
What are the key properties of (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone has a molecular weight of 333.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75508127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).