N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

C18H19FN6O2S — CID 71718769

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4F)ns3)CC2)c1C
InChIInChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)
InChIKeyQDFSSZYUROWNRX-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.30
Rot. Bonds3

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide (PubChem CID 71718769) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
PubChem CID71718769
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4F)ns3)CC2)c1C
InChIInChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)
InChIKeyQDFSSZYUROWNRX-UHFFFAOYSA-N
XLogP3.30
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide (CID 71718769) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide is Cc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4F)ns3)CC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide?
The InChIKey is QDFSSZYUROWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[3-(2-fluorophenyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71718769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).