2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide

C17H23N3O3 — CID 111784791

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H23N3O3/c1-11(16-12(2)20-23-13(16)3)17(22)19-9-14(10-21)8-15-6-4-5-7-18-15/h4-7,11,14,21H,8-10H2,1-3H3,(H,19,22)
InChIKeyUSWWQDCLRYABRB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.76
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide (PubChem CID 111784791) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
PubChem CID111784791
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
SMILESCc1noc(C)c1C(C)C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H23N3O3/c1-11(16-12(2)20-23-13(16)3)17(22)19-9-14(10-21)8-15-6-4-5-7-18-15/h4-7,11,14,21H,8-10H2,1-3H3,(H,19,22)
InChIKeyUSWWQDCLRYABRB-UHFFFAOYSA-N
XLogP1.76
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111795023
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784605
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 111784829
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 75381073
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]propanamide
CID 95618392
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide (CID 111784791) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide is Cc1noc(C)c1C(C)C(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The InChIKey is USWWQDCLRYABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(16-12(2)20-23-13(16)3)17(22)19-9-14(10-21)8-15-6-4-5-7-18-15/h4-7,11,14,21H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide is sourced from PubChem (CID 111784791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).