N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide

C23H23ClN4O4 — CID 110119670

IUPACN-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC(c2ncc(Cc3ccc(Cl)cc3)o2)C1)c1cncc(O)c1
InChIInChI=1S/C23H23ClN4O4/c24-18-5-3-15(4-6-18)8-20-12-27-23(32-20)16-2-1-7-28(14-16)21(30)13-26-22(31)17-9-19(29)11-25-10-17/h3-6,9-12,16,29H,1-2,7-8,13-14H2,(H,26,31)
InChIKeyXLZIQGVIBQHKES-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide

N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 110119670) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
PubChem CID110119670
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCCC(c2ncc(Cc3ccc(Cl)cc3)o2)C1)c1cncc(O)c1
InChIInChI=1S/C23H23ClN4O4/c24-18-5-3-15(4-6-18)8-20-12-27-23(32-20)16-2-1-7-28(14-16)21(30)13-26-22(31)17-9-19(29)11-25-10-17/h3-6,9-12,16,29H,1-2,7-8,13-14H2,(H,26,31)
InChIKeyXLZIQGVIBQHKES-UHFFFAOYSA-N
XLogP3.16
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 125011579
[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124942086
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125006336
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124940588
N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 124999385
N-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 124973489
1-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124996174
N-[2-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 124941881
1-[2-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124973618
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 110120864
2-(3-chloro-4-fluorophenoxy)-1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125026628
1-[2-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 125017105

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide (CID 110119670) is N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide is O=C(NCC(=O)N1CCCC(c2ncc(Cc3ccc(Cl)cc3)o2)C1)c1cncc(O)c1.
What is the InChIKey of N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is XLZIQGVIBQHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-18-5-3-15(4-6-18)8-20-12-27-23(32-20)16-2-1-7-28(14-16)21(30)13-26-22(31)17-9-19(29)11-25-10-17/h3-6,9-12,16,29H,1-2,7-8,13-14H2,(H,26,31).
What are the key properties of N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 110119670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).