3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

C15H15ClN4OS — CID 44580094

IUPAC3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESClc1sccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C15H15ClN4OS/c16-15-12(3-6-22-15)13-7-14(21-19-13)10-8-18-20(9-10)11-1-4-17-5-2-11/h3,6-9,11,17H,1-2,4-5H2
InChIKeyKKGLVACLAMRVMM-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.84
Rot. Bonds3

About 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580094) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580094
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESClc1sccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1
InChIInChI=1S/C15H15ClN4OS/c16-15-12(3-6-22-15)13-7-14(21-19-13)10-8-18-20(9-10)11-1-4-17-5-2-11/h3,6-9,11,17H,1-2,4-5H2
InChIKeyKKGLVACLAMRVMM-UHFFFAOYSA-N
XLogP3.84
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 91322746
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092
3-(3-chloropyridin-4-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580093
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 168286183
N-[1-[1-(2,6-dichlorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 156248249
3,5-Dimethyl-4-(1-{[1-phenyl-3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)-1,2-oxazole
CID 46366463
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 10368747
2-fluoro-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]benzamide
CID 92430319
3-(2-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]propanamide
CID 92430328
2-(4-fluorophenyl)-N-[2-[4-(3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylpyrazol-1-yl]ethyl]acetamide
CID 110245598

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580094) is 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is Clc1sccc1-c1cc(-c2cnn(C3CCNCC3)c2)on1.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is KKGLVACLAMRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c16-15-12(3-6-22-15)13-7-14(21-19-13)10-8-18-20(9-10)11-1-4-17-5-2-11/h3,6-9,11,17H,1-2,4-5H2.
What are the key properties of 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 334.83 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).