2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide

C15H13FN4O2 — CID 161191654

IUPAC2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cc(-c2ccccc2F)no1
InChIInChI=1S/C15H13FN4O2/c1-2-20-13(7-8-17-20)15(21)18-14-9-12(19-22-14)10-5-3-4-6-11(10)16/h3-9H,2H2,1H3,(H,18,21)
InChIKeyUTULEKXSJWYXBJ-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.95
Rot. Bonds4

About 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide

2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide (PubChem CID 161191654) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide
PubChem CID161191654
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cc(-c2ccccc2F)no1
InChIInChI=1S/C15H13FN4O2/c1-2-20-13(7-8-17-20)15(21)18-14-9-12(19-22-14)10-5-3-4-6-11(10)16/h3-9H,2H2,1H3,(H,18,21)
InChIKeyUTULEKXSJWYXBJ-UHFFFAOYSA-N
XLogP2.95
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide (CID 161191654) is 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cc(-c2ccccc2F)no1.
What is the InChIKey of 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide?
The InChIKey is UTULEKXSJWYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-2-20-13(7-8-17-20)15(21)18-14-9-12(19-22-14)10-5-3-4-6-11(10)16/h3-9H,2H2,1H3,(H,18,21).
What are the key properties of 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide?
2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 161191654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).