N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

C20H23N3O2S — CID 16879558

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)c(C)c1
InChIInChI=1S/C20H23N3O2S/c1-4-23(5-2)16-8-9-17(14(3)11-16)21-20(24)13-15-12-18(25-22-15)19-7-6-10-26-19/h6-12H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyMQENZTCVXFOGDZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.74
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (PubChem CID 16879558) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
PubChem CID16879558
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)c(C)c1
InChIInChI=1S/C20H23N3O2S/c1-4-23(5-2)16-8-9-17(14(3)11-16)21-20(24)13-15-12-18(25-22-15)19-7-6-10-26-19/h6-12H,4-5,13H2,1-3H3,(H,21,24)
InChIKeyMQENZTCVXFOGDZ-UHFFFAOYSA-N
XLogP4.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879571
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574
ethyl 4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 16879520
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160013
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (CID 16879558) is N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The InChIKey is MQENZTCVXFOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-23(5-2)16-8-9-17(14(3)11-16)21-20(24)13-15-12-18(25-22-15)19-7-6-10-26-19/h6-12H,4-5,13H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16879558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).