5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

C14H9F3N4O3S — CID 90687569

IUPAC5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)23-8-3-1-7(2-4-8)20-12(22)9-10(21-24-11(9)18)13-19-5-6-25-13/h1-6H,18H2,(H,20,22)
InChIKeyFLIZNYMBRHOCBP-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.53
Rot. Bonds4

About 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 90687569) has the molecular formula C14H9F3N4O3S and a molecular weight of 370.31 g/mol. Its IUPAC name is 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID90687569
Molecular FormulaC14H9F3N4O3S
Molecular Weight370.31 g/mol
Exact Mass370.03
IUPAC Name5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2nccs2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3N4O3S/c15-14(16,17)23-8-3-1-7(2-4-8)20-12(22)9-10(21-24-11(9)18)13-19-5-6-25-13/h1-6H,18H2,(H,20,22)
InChIKeyFLIZNYMBRHOCBP-UHFFFAOYSA-N
XLogP3.53
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 90687569) is 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is Nc1onc(-c2nccs2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FLIZNYMBRHOCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3S/c15-14(16,17)23-8-3-1-7(2-4-8)20-12(22)9-10(21-24-11(9)18)13-19-5-6-25-13/h1-6H,18H2,(H,20,22).
What are the key properties of 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,3-thiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).