2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane

C21H24F2N4O4 — CID 142352226

IUPAC2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane
SMILESCC.O=C(O)c1cnc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H18F2N4O4.C2H6/c20-13-7-12(8-14(21)9-13)15-1-4-23-25(15)17(26)11-2-5-24(6-3-11)19-22-10-16(29-19)18(27)28;1-2/h4,7-11,15H,1-3,5-6H2,(H,27,28);1-2H3
InChIKeyJLNBAGPXCWDYFB-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.85
Rot. Bonds4

About 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane

2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane (PubChem CID 142352226) has the molecular formula C21H24F2N4O4 and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane
PubChem CID142352226
Molecular FormulaC21H24F2N4O4
Molecular Weight434.44 g/mol
Exact Mass434.18
IUPAC Name2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane
SMILESCC.O=C(O)c1cnc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H18F2N4O4.C2H6/c20-13-7-12(8-14(21)9-13)15-1-4-23-25(15)17(26)11-2-5-24(6-3-11)19-22-10-16(29-19)18(27)28;1-2/h4,7-11,15H,1-3,5-6H2,(H,27,28);1-2H3
InChIKeyJLNBAGPXCWDYFB-UHFFFAOYSA-N
XLogP3.85
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane?
The IUPAC name of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane (CID 142352226) is 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane.
What is the SMILES notation for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane?
The canonical SMILES for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane is CC.O=C(O)c1cnc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane?
The InChIKey is JLNBAGPXCWDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4.C2H6/c20-13-7-12(8-14(21)9-13)15-1-4-23-25(15)17(26)11-2-5-24(6-3-11)19-22-10-16(29-19)18(27)28;1-2/h4,7-11,15H,1-3,5-6H2,(H,27,28);1-2H3.
What are the key properties of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane?
2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane has a molecular weight of 434.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid;ethane is sourced from PubChem (CID 142352226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).