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

C27H23FN6O2 — CID 57433675

IUPAC[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C27H23FN6O2/c28-20-8-6-18(7-9-20)23-24(34-16-17-36-27(34)32-23)22-10-13-29-26(31-22)30-21-11-14-33(15-12-21)25(35)19-4-2-1-3-5-19/h1-10,13,16-17,21H,11-12,14-15H2,(H,29,30,31)
InChIKeyPRCDFKLQDCVLHB-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.91
Rot. Bonds5

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

[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 57433675) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID57433675
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C27H23FN6O2/c28-20-8-6-18(7-9-20)23-24(34-16-17-36-27(34)32-23)22-10-13-29-26(31-22)30-21-11-14-33(15-12-21)25(35)19-4-2-1-3-5-19/h1-10,13,16-17,21H,11-12,14-15H2,(H,29,30,31)
InChIKeyPRCDFKLQDCVLHB-UHFFFAOYSA-N
XLogP4.91
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone (CID 57433675) is [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is PRCDFKLQDCVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c28-20-8-6-18(7-9-20)23-24(34-16-17-36-27(34)32-23)22-10-13-29-26(31-22)30-21-11-14-33(15-12-21)25(35)19-4-2-1-3-5-19/h1-10,13,16-17,21H,11-12,14-15H2,(H,29,30,31).
What are the key properties of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 482.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 57433675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).