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

C13H9FN4O2S — CID 91343042

IUPAC5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H9FN4O2S/c14-7-1-3-8(4-2-7)17-12(19)9-10(18-20-11(9)15)13-16-5-6-21-13/h1-6H,15H2,(H,17,19)
InChIKeyFPDWWAHHFHWXGS-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.77
Rot. Bonds3

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

5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 91343042) has the molecular formula C13H9FN4O2S and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID91343042
Molecular FormulaC13H9FN4O2S
Molecular Weight304.31 g/mol
Exact Mass304.04
IUPAC Name5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H9FN4O2S/c14-7-1-3-8(4-2-7)17-12(19)9-10(18-20-11(9)15)13-16-5-6-21-13/h1-6H,15H2,(H,17,19)
InChIKeyFPDWWAHHFHWXGS-UHFFFAOYSA-N
XLogP2.77
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91497694
5-amino-N-(4-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263621
5-amino-N-(4-tert-butylphenyl)-3-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 10154391
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 35998393
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
2,6-difluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)-2,3-dihydrofuran-3-yl]phenyl]benzamide
CID 71158578
5-amino-N-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 91086247
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 91343042) is 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Nc1onc(-c2nccs2)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is FPDWWAHHFHWXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2S/c14-7-1-3-8(4-2-7)17-12(19)9-10(18-20-11(9)15)13-16-5-6-21-13/h1-6H,15H2,(H,17,19).
What are the key properties of 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91343042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).