N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide

C24H24FN7O3 — CID 57433624

IUPACN-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C24H24FN7O3/c1-15(33)27-14-20(34)31-10-7-18(8-11-31)28-23-26-9-6-19(29-23)22-21(16-2-4-17(25)5-3-16)30-24-32(22)12-13-35-24/h2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,27,33)(H,26,28,29)
InChIKeyFFNCBDBKXUDAMC-UHFFFAOYSA-N
MW477.50 g/mol
LogP2.73
Rot. Bonds6

About N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 57433624) has the molecular formula C24H24FN7O3 and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID57433624
Molecular FormulaC24H24FN7O3
Molecular Weight477.50 g/mol
Exact Mass477.19
IUPAC NameN-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C24H24FN7O3/c1-15(33)27-14-20(34)31-10-7-18(8-11-31)28-23-26-9-6-19(29-23)22-21(16-2-4-17(25)5-3-16)30-24-32(22)12-13-35-24/h2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,27,33)(H,26,28,29)
InChIKeyFFNCBDBKXUDAMC-UHFFFAOYSA-N
XLogP2.73
TPSA117.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide (CID 57433624) is N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is FFNCBDBKXUDAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O3/c1-15(33)27-14-20(34)31-10-7-18(8-11-31)28-23-26-9-6-19(29-23)22-21(16-2-4-17(25)5-3-16)30-24-32(22)12-13-35-24/h2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,27,33)(H,26,28,29).
What are the key properties of N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 477.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 57433624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).