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

C14H15N3O4S — CID 71803882

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCSc1ccc(C(O)CNC(=O)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C14H15N3O4S/c1-22-10-4-2-9(3-5-10)11(18)8-15-13(19)14(20)16-12-6-7-21-17-12/h2-7,11,18H,8H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyBLDOYFODGUEORM-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.18
Rot. Bonds5

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

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 71803882) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID71803882
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCSc1ccc(C(O)CNC(=O)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C14H15N3O4S/c1-22-10-4-2-9(3-5-10)11(18)8-15-13(19)14(20)16-12-6-7-21-17-12/h2-7,11,18H,8H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyBLDOYFODGUEORM-UHFFFAOYSA-N
XLogP1.18
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.18
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-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71803885
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 90582021
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876506
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803892
N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
CID 41452995
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 90582092
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 40890372

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 71803882) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide is CSc1ccc(C(O)CNC(=O)C(=O)Nc2ccon2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is BLDOYFODGUEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-22-10-4-2-9(3-5-10)11(18)8-15-13(19)14(20)16-12-6-7-21-17-12/h2-7,11,18H,8H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 321.36 g/mol, XLogP of 1.18, 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'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 71803882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).