N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

C16H11FN6O2S — CID 146229972

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2nncs2)on1
InChIInChI=1S/C16H11FN6O2S/c17-11-3-1-2-10(4-11)7-23-8-12(6-19-23)20-15(24)13-5-14(25-22-13)16-21-18-9-26-16/h1-6,8-9H,7H2,(H,20,24)
InChIKeyXBIKGHUEZUZQDW-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.83
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 146229972) has the molecular formula C16H11FN6O2S and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID146229972
Molecular FormulaC16H11FN6O2S
Molecular Weight370.37 g/mol
Exact Mass370.06
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2nncs2)on1
InChIInChI=1S/C16H11FN6O2S/c17-11-3-1-2-10(4-11)7-23-8-12(6-19-23)20-15(24)13-5-14(25-22-13)16-21-18-9-26-16/h1-6,8-9H,7H2,(H,20,24)
InChIKeyXBIKGHUEZUZQDW-UHFFFAOYSA-N
XLogP2.83
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239898
N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220472
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-prop-1-en-2-yl-1,2-oxazole-3-carboxamide
CID 146220506
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220519
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,2-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220560
5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220606
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 146220609
5-cyclohexyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220610
N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 146220630

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 146229972) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2nncs2)on1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XBIKGHUEZUZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O2S/c17-11-3-1-2-10(4-11)7-23-8-12(6-19-23)20-15(24)13-5-14(25-22-13)16-21-18-9-26-16/h1-6,8-9H,7H2,(H,20,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146229972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).