N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C23H22FN5O2 — CID 92581052

IUPACN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)no1
InChIInChI=1S/C23H22FN5O2/c1-15(2)22-13-20(28-31-22)23(30)26-10-11-29-21(17-4-3-9-25-14-17)12-19(27-29)16-5-7-18(24)8-6-16/h3-9,12-15H,10-11H2,1-2H3,(H,26,30)
InChIKeyUJLUDGFJSOMGPI-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.29
Rot. Bonds7

About N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 92581052) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID92581052
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)no1
InChIInChI=1S/C23H22FN5O2/c1-15(2)22-13-20(28-31-22)23(30)26-10-11-29-21(17-4-3-9-25-14-17)12-19(27-29)16-5-7-18(24)8-6-16/h3-9,12-15H,10-11H2,1-2H3,(H,26,30)
InChIKeyUJLUDGFJSOMGPI-UHFFFAOYSA-N
XLogP4.29
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 92581052) is N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)no1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is UJLUDGFJSOMGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-15(2)22-13-20(28-31-22)23(30)26-10-11-29-21(17-4-3-9-25-14-17)12-19(27-29)16-5-7-18(24)8-6-16/h3-9,12-15H,10-11H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 92581052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).