[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C15H19N3O2S — CID 56819755

IUPAC[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(CN2CCN(C(=O)c3cccs3)CC2)oc1C
InChIInChI=1S/C15H19N3O2S/c1-11-12(2)20-14(16-11)10-17-5-7-18(8-6-17)15(19)13-4-3-9-21-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQVEOKJAEHRCLSF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.31
Rot. Bonds3

About [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 56819755) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID56819755
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(CN2CCN(C(=O)c3cccs3)CC2)oc1C
InChIInChI=1S/C15H19N3O2S/c1-11-12(2)20-14(16-11)10-17-5-7-18(8-6-17)15(19)13-4-3-9-21-13/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQVEOKJAEHRCLSF-UHFFFAOYSA-N
XLogP2.31
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone 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

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47537838
[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47521649
(5-amino-2-methylphenyl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 120646222
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 120750643
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-thiophen-3-ylpiperazine-1-carboxamide
CID 75438160
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 86945340
[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18088783
(E)-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylbut-2-en-1-one
CID 98479498
2-amino-1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119877124
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 17399460

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 56819755) is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1nc(CN2CCN(C(=O)c3cccs3)CC2)oc1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QVEOKJAEHRCLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-12(2)20-14(16-11)10-17-5-7-18(8-6-17)15(19)13-4-3-9-21-13/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 305.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 56819755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).