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

C17H13N5O2S — CID 156596107

IUPACN-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2cncs2)no1
InChIInChI=1S/C17H13N5O2S/c23-17(15-6-14(21-24-15)16-8-18-11-25-16)20-13-7-19-22(10-13)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,20,23)
InChIKeyVIEMVNVEBNWPOL-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.30
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 156596107) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID156596107
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2cncs2)no1
InChIInChI=1S/C17H13N5O2S/c23-17(15-6-14(21-24-15)16-8-18-11-25-16)20-13-7-19-22(10-13)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,20,23)
InChIKeyVIEMVNVEBNWPOL-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220519
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3238351
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146229972
N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220651
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220688
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146229698
N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide
CID 146220581
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
5-methyl-3-({3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)isoxazole
CID 29023135
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 90184560
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]acetamide
CID 130370716
N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 145209092

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide (CID 156596107) is N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2cncs2)no1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is VIEMVNVEBNWPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-17(15-6-14(21-24-15)16-8-18-11-25-16)20-13-7-19-22(10-13)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-(1,3-thiazol-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 156596107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).