N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide

C17H19N3O4 — CID 135094429

IUPACN-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCc1ocnc1C(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H19N3O4/c1-11-15(18-10-24-11)17(23)20-8-7-13(14(21)9-20)19-16(22)12-5-3-2-4-6-12/h2-6,10,13-14,21H,7-9H2,1H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyYBVBLQXPPVPLIB-ZIAGYGMSSA-N
MW329.36 g/mol
LogP0.99
Rot. Bonds3

About N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide

N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide (PubChem CID 135094429) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
PubChem CID135094429
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
SMILESCc1ocnc1C(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1
InChIInChI=1S/C17H19N3O4/c1-11-15(18-10-24-11)17(23)20-8-7-13(14(21)9-20)19-16(22)12-5-3-2-4-6-12/h2-6,10,13-14,21H,7-9H2,1H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyYBVBLQXPPVPLIB-ZIAGYGMSSA-N
XLogP0.99
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 134278412
3-[(3R,4R)-4-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-3-yl]oxybenzoic acid
CID 110146718
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70756562
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide
CID 135105481
3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
CID 91835978
N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide
CID 91843158
N-[1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 156611150
(5-methyl-1,3-oxazol-4-yl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 129381205
4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 91840759
4-benzyl-2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56708853
N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 91843922
N-(2-benzamidocyclobutyl)benzamide
CID 58037122

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide (CID 135094429) is N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide is Cc1ocnc1C(=O)N1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is YBVBLQXPPVPLIB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-15(18-10-24-11)17(23)20-8-7-13(14(21)9-20)19-16(22)12-5-3-2-4-6-12/h2-6,10,13-14,21H,7-9H2,1H3,(H,19,22)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide?
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 135094429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).