N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide

C23H24N4O4 — CID 125011579

IUPACN-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)c1cncc(O)c1
InChIInChI=1S/C23H24N4O4/c28-19-10-18(11-24-12-19)22(30)25-14-21(29)27-8-4-7-17(15-27)23-26-13-20(31-23)9-16-5-2-1-3-6-16/h1-3,5-6,10-13,17,28H,4,7-9,14-15H2,(H,25,30)/t17-/m0/s1
InChIKeyVRHOKLISVCELBR-KRWDZBQOSA-N
MW420.47 g/mol
LogP2.50
Rot. Bonds6

About N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide

N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 125011579) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
PubChem CID125011579
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)c1cncc(O)c1
InChIInChI=1S/C23H24N4O4/c28-19-10-18(11-24-12-19)22(30)25-14-21(29)27-8-4-7-17(15-27)23-26-13-20(31-23)9-16-5-2-1-3-6-16/h1-3,5-6,10-13,17,28H,4,7-9,14-15H2,(H,25,30)/t17-/m0/s1
InChIKeyVRHOKLISVCELBR-KRWDZBQOSA-N
XLogP2.50
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 110119670
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
[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948498
[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124948499
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
N-[2-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110119355
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
N-[2-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide
CID 110120864
N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 124999385
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 110119777
1-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
CID 125001091
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 125007547

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide (CID 125011579) is N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide is O=C(NCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1)c1cncc(O)c1.
What is the InChIKey of N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is VRHOKLISVCELBR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-19-10-18(11-24-12-19)22(30)25-14-21(29)27-8-4-7-17(15-27)23-26-13-20(31-23)9-16-5-2-1-3-6-16/h1-3,5-6,10-13,17,28H,4,7-9,14-15H2,(H,25,30)/t17-/m0/s1.
What are the key properties of N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide?
N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 125011579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).