3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C24H27F2N5O2 — CID 29482281

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3ncc(-c4c(F)cccc4F)o3)CC2)nc(C(C)C)n1
InChIInChI=1S/C24H27F2N5O2/c1-15(2)24-28-16(3)13-20(29-24)30-9-11-31(12-10-30)22(32)8-7-21-27-14-19(33-21)23-17(25)5-4-6-18(23)26/h4-6,13-15H,7-12H2,1-3H3
InChIKeyFRSJCZMMFIYZNW-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.12
Rot. Bonds6

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 29482281) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID29482281
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(N2CCN(C(=O)CCc3ncc(-c4c(F)cccc4F)o3)CC2)nc(C(C)C)n1
InChIInChI=1S/C24H27F2N5O2/c1-15(2)24-28-16(3)13-20(29-24)30-9-11-31(12-10-30)22(32)8-7-21-27-14-19(33-21)23-17(25)5-4-6-18(23)26/h4-6,13-15H,7-12H2,1-3H3
InChIKeyFRSJCZMMFIYZNW-UHFFFAOYSA-N
XLogP4.12
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38711801
3-(furan-2-yl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 38711618
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31669631
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 46579596
3-(4-ethylphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 38711927
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 38377896
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 30136997
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 42931025
1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]-1,4-diazepan-5-one
CID 56821262
2-(3,4-difluorophenyl)sulfanyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 38711698
4-(methylamino)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837026
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 29482281) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is Cc1cc(N2CCN(C(=O)CCc3ncc(-c4c(F)cccc4F)o3)CC2)nc(C(C)C)n1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is FRSJCZMMFIYZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c1-15(2)24-28-16(3)13-20(29-24)30-9-11-31(12-10-30)22(32)8-7-21-27-14-19(33-21)23-17(25)5-4-6-18(23)26/h4-6,13-15H,7-12H2,1-3H3.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 455.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 29482281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).