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

C14H10FN3O2S — CID 35998393

IUPAC3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nccs1
InChIInChI=1S/C14H10FN3O2S/c1-8-11(13(19)17-14-16-6-7-21-14)12(18-20-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,17,19)
InChIKeyBLCABYLCLVEBSL-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.50
Rot. Bonds3

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

3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 35998393) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID35998393
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nccs1
InChIInChI=1S/C14H10FN3O2S/c1-8-11(13(19)17-14-16-6-7-21-14)12(18-20-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,17,19)
InChIKeyBLCABYLCLVEBSL-UHFFFAOYSA-N
XLogP3.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-5-methyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 55608043
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
CID 16950267
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 39097245
4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161207419
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805617
3-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 86942121
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176858449
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 47026269
3-(4-fluorophenyl)-5-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1,2-oxazole-4-carboxamide
CID 39094592

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 35998393) is 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1nccs1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is BLCABYLCLVEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-8-11(13(19)17-14-16-6-7-21-14)12(18-20-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,17,19).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 35998393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).