propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate

C16H16F2N4O3S — CID 165025242

IUPACpropyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate
SMILESCCCOC(=O)c1ccn(Cc2ccc(-c3noc(C(C)(F)F)n3)s2)n1
InChIInChI=1S/C16H16F2N4O3S/c1-3-8-24-14(23)11-6-7-22(20-11)9-10-4-5-12(26-10)13-19-15(25-21-13)16(2,17)18/h4-7H,3,8-9H2,1-2H3
InChIKeyOUIAOKQMHWRGJL-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.72
Rot. Bonds7

About propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate

propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate (PubChem CID 165025242) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate
PubChem CID165025242
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC Namepropyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate
SMILESCCCOC(=O)c1ccn(Cc2ccc(-c3noc(C(C)(F)F)n3)s2)n1
InChIInChI=1S/C16H16F2N4O3S/c1-3-8-24-14(23)11-6-7-22(20-11)9-10-4-5-12(26-10)13-19-15(25-21-13)16(2,17)18/h4-7H,3,8-9H2,1-2H3
InChIKeyOUIAOKQMHWRGJL-UHFFFAOYSA-N
XLogP3.72
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate with MolForge

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Related Compounds

N-propyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074993
N-cyclobutyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074879
2-ethoxy-1-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]ethanone
CID 160999689
N-methoxy-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 155074987
ethyl 2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate
CID 155074907
N-propan-2-yl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]imidazole-4-carboxamide
CID 155074883
propyl 1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-4-carboxylate
CID 137407862
4-methyl-1-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]pentan-1-one
CID 158929141
1-[2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-3-yl]propan-1-one
CID 158800038
N-ethyl-N-methyl-2-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxamide
CID 155074976
ethyl 2-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79471708
N-phenyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-4-carboxamide
CID 155075020

Frequently Asked Questions

What is the IUPAC name of propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate?
The IUPAC name of propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate (CID 165025242) is propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate.
What is the SMILES notation for propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate?
The canonical SMILES for propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate is CCCOC(=O)c1ccn(Cc2ccc(-c3noc(C(C)(F)F)n3)s2)n1.
What is the InChIKey of propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate?
The InChIKey is OUIAOKQMHWRGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-3-8-24-14(23)11-6-7-22(20-11)9-10-4-5-12(26-10)13-19-15(25-21-13)16(2,17)18/h4-7H,3,8-9H2,1-2H3.
What are the key properties of propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate?
propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-[[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 165025242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).