N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

C16H12N6O2S — CID 146220651

IUPACN-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2nncs2)on1
InChIInChI=1S/C16H12N6O2S/c23-15(13-6-14(24-21-13)16-20-17-10-25-16)19-12-7-18-22(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,23)
InChIKeyLPZMPSNKVIBUEE-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.69
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 146220651) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID146220651
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2nncs2)on1
InChIInChI=1S/C16H12N6O2S/c23-15(13-6-14(24-21-13)16-20-17-10-25-16)19-12-7-18-22(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,23)
InChIKeyLPZMPSNKVIBUEE-UHFFFAOYSA-N
XLogP2.69
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.69
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 146220651) is N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2nncs2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LPZMPSNKVIBUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c23-15(13-6-14(24-21-13)16-20-17-10-25-16)19-12-7-18-22(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,19,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).