2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide

C17H18N2O3S2 — CID 124877781

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H18N2O3S2/c1-11-14(12(2)22-19-11)8-16(20)18-10-17(21,13-5-7-23-9-13)15-4-3-6-24-15/h3-7,9,21H,8,10H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyUWFXELLZSLFSNU-KRWDZBQOSA-N
MW362.48 g/mol
LogP3.01
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide (PubChem CID 124877781) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
PubChem CID124877781
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C17H18N2O3S2/c1-11-14(12(2)22-19-11)8-16(20)18-10-17(21,13-5-7-23-9-13)15-4-3-6-24-15/h3-7,9,21H,8,10H2,1-2H3,(H,18,20)/t17-/m0/s1
InChIKeyUWFXELLZSLFSNU-KRWDZBQOSA-N
XLogP3.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121170284
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
3-cyclohexyl-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)propanamide
CID 121170042
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124760669
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
CID 121170123

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide (CID 124877781) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide is Cc1noc(C)c1CC(=O)NC[C@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The InChIKey is UWFXELLZSLFSNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-11-14(12(2)22-19-11)8-16(20)18-10-17(21,13-5-7-23-9-13)15-4-3-6-24-15/h3-7,9,21H,8,10H2,1-2H3,(H,18,20)/t17-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 124877781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).