3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

C21H16F2N4O3 — CID 71854335

IUPAC3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)C1CC(C(=O)Nc2nc(-c3c(F)cccc3F)co2)=NN1c1ccccc1
InChIInChI=1S/C21H16F2N4O3/c1-12(28)18-10-16(26-27(18)13-6-3-2-4-7-13)20(29)25-21-24-17(11-30-21)19-14(22)8-5-9-15(19)23/h2-9,11,18H,10H2,1H3,(H,24,25,29)
InChIKeyAGKZAAZUGIMZRX-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.78
Rot. Bonds5

About 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide

3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 71854335) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID71854335
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)C1CC(C(=O)Nc2nc(-c3c(F)cccc3F)co2)=NN1c1ccccc1
InChIInChI=1S/C21H16F2N4O3/c1-12(28)18-10-16(26-27(18)13-6-3-2-4-7-13)20(29)25-21-24-17(11-30-21)19-14(22)8-5-9-15(19)23/h2-9,11,18H,10H2,1H3,(H,24,25,29)
InChIKeyAGKZAAZUGIMZRX-UHFFFAOYSA-N
XLogP3.78
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 71854335) is 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(=O)C1CC(C(=O)Nc2nc(-c3c(F)cccc3F)co2)=NN1c1ccccc1.
What is the InChIKey of 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is AGKZAAZUGIMZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c1-12(28)18-10-16(26-27(18)13-6-3-2-4-7-13)20(29)25-21-24-17(11-30-21)19-14(22)8-5-9-15(19)23/h2-9,11,18H,10H2,1H3,(H,24,25,29).
What are the key properties of 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 71854335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).