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

C17H13FN6O2S — CID 146229698

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nnc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)s1
InChIInChI=1S/C17H13FN6O2S/c1-10-21-22-17(27-10)15-6-14(23-26-15)16(25)20-13-7-19-24(9-13)8-11-3-2-4-12(18)5-11/h2-7,9H,8H2,1H3,(H,20,25)
InChIKeyKUJMJSWEHFLBOP-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.14
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 146229698) has the molecular formula C17H13FN6O2S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID146229698
Molecular FormulaC17H13FN6O2S
Molecular Weight384.40 g/mol
Exact Mass384.08
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nnc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)s1
InChIInChI=1S/C17H13FN6O2S/c1-10-21-22-17(27-10)15-6-14(23-26-15)16(25)20-13-7-19-24(9-13)8-11-3-2-4-12(18)5-11/h2-7,9H,8H2,1H3,(H,20,25)
InChIKeyKUJMJSWEHFLBOP-UHFFFAOYSA-N
XLogP3.14
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 146229698) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-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-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1nnc(-c2cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)no2)s1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KUJMJSWEHFLBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2S/c1-10-21-22-17(27-10)15-6-14(23-26-15)16(25)20-13-7-19-24(9-13)8-11-3-2-4-12(18)5-11/h2-7,9H,8H2,1H3,(H,20,25).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.14, 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-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146229698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).