3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide

C22H24FN5O3 — CID 6624059

IUPAC3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C22H24FN5O3/c1-14-7-9-27(10-8-14)21(29)13-28-15(2)11-20(25-28)24-22(30)19-12-18(26-31-19)16-3-5-17(23)6-4-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,25,30)
InChIKeySIHOQPIUYQALDJ-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.50
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 6624059) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID6624059
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C22H24FN5O3/c1-14-7-9-27(10-8-14)21(29)13-28-15(2)11-20(25-28)24-22(30)19-12-18(26-31-19)16-3-5-17(23)6-4-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,25,30)
InChIKeySIHOQPIUYQALDJ-UHFFFAOYSA-N
XLogP3.50
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide (CID 6624059) is 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SIHOQPIUYQALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14-7-9-27(10-8-14)21(29)13-28-15(2)11-20(25-28)24-22(30)19-12-18(26-31-19)16-3-5-17(23)6-4-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,25,30).
What are the key properties of 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[5-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6624059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).