N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C15H17N3O4S — CID 71803885

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCSc1ccc(C(O)CNC(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H17N3O4S/c1-9-7-13(18-22-9)17-15(21)14(20)16-8-12(19)10-3-5-11(23-2)6-4-10/h3-7,12,19H,8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyGMBYYWAVXZHBIN-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.49
Rot. Bonds5

About N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 71803885) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID71803885
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCSc1ccc(C(O)CNC(=O)C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H17N3O4S/c1-9-7-13(18-22-9)17-15(21)14(20)16-8-12(19)10-3-5-11(23-2)6-4-10/h3-7,12,19H,8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyGMBYYWAVXZHBIN-UHFFFAOYSA-N
XLogP1.49
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803892
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N'-[(1S)-1-(4-ethylphenyl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51959353
N-(2-ethylhexyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47205589
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38282989
N-methyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996069
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605445
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 97417837
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 30835539

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 71803885) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is CSc1ccc(C(O)CNC(=O)C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is GMBYYWAVXZHBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-7-13(18-22-9)17-15(21)14(20)16-8-12(19)10-3-5-11(23-2)6-4-10/h3-7,12,19H,8H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 335.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 71803885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).