5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C18H27N5O3 — CID 95191686

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C18H27N5O3/c1-11(17-12(2)20-22(4)13(17)3)19-18(25)16-9-15(26-21-16)10-23-7-5-14(24)6-8-23/h9,11,14,24H,5-8,10H2,1-4H3,(H,19,25)/t11-/m1/s1
InChIKeyISKZOKBLKCBJFA-LLVKDONJSA-N
MW361.45 g/mol
LogP1.47
Rot. Bonds5

About 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95191686) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID95191686
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C18H27N5O3/c1-11(17-12(2)20-22(4)13(17)3)19-18(25)16-9-15(26-21-16)10-23-7-5-14(24)6-8-23/h9,11,14,24H,5-8,10H2,1-4H3,(H,19,25)/t11-/m1/s1
InChIKeyISKZOKBLKCBJFA-LLVKDONJSA-N
XLogP1.47
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56705166
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56700663
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95198420
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56718229
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56745348
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
(2S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95322963
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087
N-[1-(2-hydroxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56754888
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 56747395

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 95191686) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ISKZOKBLKCBJFA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-11(17-12(2)20-22(4)13(17)3)19-18(25)16-9-15(26-21-16)10-23-7-5-14(24)6-8-23/h9,11,14,24H,5-8,10H2,1-4H3,(H,19,25)/t11-/m1/s1.
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95191686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).