N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide

C13H21N3O3 — CID 111422396

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2ccon2)CC1
InChIInChI=1S/C13H21N3O3/c1-10-2-5-16(6-3-10)9-11(17)8-14-13(18)12-4-7-19-15-12/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3,(H,14,18)
InChIKeyQJWGLQNHCSWGGK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.50
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 111422396) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID111422396
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2ccon2)CC1
InChIInChI=1S/C13H21N3O3/c1-10-2-5-16(6-3-10)9-11(17)8-14-13(18)12-4-7-19-15-12/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3,(H,14,18)
InChIKeyQJWGLQNHCSWGGK-UHFFFAOYSA-N
XLogP0.50
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 97237895
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111422368
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
CID 111450769
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide (CID 111422396) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide is CC1CCN(CC(O)CNC(=O)c2ccon2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QJWGLQNHCSWGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-2-5-16(6-3-10)9-11(17)8-14-13(18)12-4-7-19-15-12/h4,7,10-11,17H,2-3,5-6,8-9H2,1H3,(H,14,18).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111422396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).