3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide

C22H21F2N3O3S — CID 92571346

IUPAC3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)no1
InChIInChI=1S/C22H21F2N3O3S/c23-16-3-4-18(24)15(10-16)11-21(28)27-7-5-14(6-8-27)19-12-20(30-26-19)22(29)25-13-17-2-1-9-31-17/h1-4,9-10,12,14H,5-8,11,13H2,(H,25,29)
InChIKeyQOXBPNCJUIQYGG-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.89
Rot. Bonds6

About 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide

3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 92571346) has the molecular formula C22H21F2N3O3S and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID92571346
Molecular FormulaC22H21F2N3O3S
Molecular Weight445.49 g/mol
Exact Mass445.13
IUPAC Name3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)no1
InChIInChI=1S/C22H21F2N3O3S/c23-16-3-4-18(24)15(10-16)11-21(28)27-7-5-14(6-8-27)19-12-20(30-26-19)22(29)25-13-17-2-1-9-31-17/h1-4,9-10,12,14H,5-8,11,13H2,(H,25,29)
InChIKeyQOXBPNCJUIQYGG-UHFFFAOYSA-N
XLogP3.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 92571346) is 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCc1cccs1)c1cc(C2CCN(C(=O)Cc3cc(F)ccc3F)CC2)no1.
What is the InChIKey of 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is QOXBPNCJUIQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S/c23-16-3-4-18(24)15(10-16)11-21(28)27-7-5-14(6-8-27)19-12-20(30-26-19)22(29)25-13-17-2-1-9-31-17/h1-4,9-10,12,14H,5-8,11,13H2,(H,25,29).
What are the key properties of 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92571346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).