5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide

C14H10F3N5O2S — CID 124850862

IUPAC5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide
SMILESO=C(N/N=C\c1ccn(CC(F)(F)F)n1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)8-22-4-3-9(20-22)7-18-19-13(23)10-6-11(24-21-10)12-2-1-5-25-12/h1-7H,8H2,(H,19,23)/b18-7-
InChIKeyRFFNZFXSGDKQSQ-WSVATBPTSA-N
MW369.33 g/mol
LogP2.93
Rot. Bonds5

About 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide

5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide (PubChem CID 124850862) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide
PubChem CID124850862
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide
SMILESO=C(N/N=C\c1ccn(CC(F)(F)F)n1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)8-22-4-3-9(20-22)7-18-19-13(23)10-6-11(24-21-10)12-2-1-5-25-12/h1-7H,8H2,(H,19,23)/b18-7-
InChIKeyRFFNZFXSGDKQSQ-WSVATBPTSA-N
XLogP2.93
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide (CID 124850862) is 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide is O=C(N/N=C\c1ccn(CC(F)(F)F)n1)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide?
The InChIKey is RFFNZFXSGDKQSQ-WSVATBPTSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)8-22-4-3-9(20-22)7-18-19-13(23)10-6-11(24-21-10)12-2-1-5-25-12/h1-7H,8H2,(H,19,23)/b18-7-.
What are the key properties of 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide?
5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide has a molecular weight of 369.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[(Z)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylideneamino]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124850862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).