1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C23H25ClN4O3 — CID 124948894

IUPAC1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c(=O)n1
InChIInChI=1S/C23H25ClN4O3/c1-15-11-16(2)28(23(30)26-15)14-21(29)27-10-4-3-5-20(27)22-25-13-19(31-22)12-17-6-8-18(24)9-7-17/h6-9,11,13,20H,3-5,10,12,14H2,1-2H3/t20-/m1/s1
InChIKeyCPZBQKHSPSESPD-HXUWFJFHSA-N
MW440.93 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 124948894) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID124948894
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c(=O)n1
InChIInChI=1S/C23H25ClN4O3/c1-15-11-16(2)28(23(30)26-15)14-21(29)27-10-4-3-5-20(27)22-25-13-19(31-22)12-17-6-8-18(24)9-7-17/h6-9,11,13,20H,3-5,10,12,14H2,1-2H3/t20-/m1/s1
InChIKeyCPZBQKHSPSESPD-HXUWFJFHSA-N
XLogP3.85
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 125020215
1-[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 124974733
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 155983766
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124956706
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
6-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 110120996
6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124985604
N-[2-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 129459888
1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 124992183
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110121023
1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 124969633
[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110120604

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 124948894) is 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c(=O)n1.
What is the InChIKey of 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is CPZBQKHSPSESPD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15-11-16(2)28(23(30)26-15)14-21(29)27-10-4-3-5-20(27)22-25-13-19(31-22)12-17-6-8-18(24)9-7-17/h6-9,11,13,20H,3-5,10,12,14H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 440.93 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 124948894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).