2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide

C23H27N3O4S — CID 47076919

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCc1cccc(C)c1OCC(O)CNC(=O)c1cccnc1SCc1c(C)noc1C
InChIInChI=1S/C23H27N3O4S/c1-14-7-5-8-15(2)21(14)29-12-18(27)11-25-22(28)19-9-6-10-24-23(19)31-13-20-16(3)26-30-17(20)4/h5-10,18,27H,11-13H2,1-4H3,(H,25,28)
InChIKeyMLOLKDGECDKPSR-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.77
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 47076919) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID47076919
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCc1cccc(C)c1OCC(O)CNC(=O)c1cccnc1SCc1c(C)noc1C
InChIInChI=1S/C23H27N3O4S/c1-14-7-5-8-15(2)21(14)29-12-18(27)11-25-22(28)19-9-6-10-24-23(19)31-13-20-16(3)26-30-17(20)4/h5-10,18,27H,11-13H2,1-4H3,(H,25,28)
InChIKeyMLOLKDGECDKPSR-UHFFFAOYSA-N
XLogP3.77
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 42939342
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 46546742
ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 18194394
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306863
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 25475060
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 99845318
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 51953591
N-(2,3-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 55374437
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-heptan-2-yl]pyridine-3-carboxamide
CID 29363996
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 29362543
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-(pyridine-3-carbonyl)pyridine-3-carbohydrazide
CID 46529148
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 56558588

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide (CID 47076919) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide is Cc1cccc(C)c1OCC(O)CNC(=O)c1cccnc1SCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is MLOLKDGECDKPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-14-7-5-8-15(2)21(14)29-12-18(27)11-25-22(28)19-9-6-10-24-23(19)31-13-20-16(3)26-30-17(20)4/h5-10,18,27H,11-13H2,1-4H3,(H,25,28).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 47076919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).