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

C16H27N3O3 — CID 56747395

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C16H27N3O3/c1-12(2)4-7-18(3)16(21)15-10-14(22-17-15)11-19-8-5-13(20)6-9-19/h10,12-13,20H,4-9,11H2,1-3H3
InChIKeyOLEBKBDMBFUELZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.75
Rot. Bonds6

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

5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 56747395) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID56747395
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C16H27N3O3/c1-12(2)4-7-18(3)16(21)15-10-14(22-17-15)11-19-8-5-13(20)6-9-19/h10,12-13,20H,4-9,11H2,1-3H3
InChIKeyOLEBKBDMBFUELZ-UHFFFAOYSA-N
XLogP1.75
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56712236
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
N-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95216881
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95190489
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95229433

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (CID 56747395) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is CC(C)CCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OLEBKBDMBFUELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(2)4-7-18(3)16(21)15-10-14(22-17-15)11-19-8-5-13(20)6-9-19/h10,12-13,20H,4-9,11H2,1-3H3.
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56747395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).