[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

C21H20N2O5S — CID 55734605

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C21H20N2O5S/c1-3-19(25)22-15-8-6-14(7-9-15)17(24)12-27-20(26)11-16-13(2)28-21(23-16)18-5-4-10-29-18/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyNVIZRKRPEPHFFU-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.03
Rot. Bonds8

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (PubChem CID 55734605) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
PubChem CID55734605
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2nc(-c3cccs3)oc2C)cc1
InChIInChI=1S/C21H20N2O5S/c1-3-19(25)22-15-8-6-14(7-9-15)17(24)12-27-20(26)11-16-13(2)28-21(23-16)18-5-4-10-29-18/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyNVIZRKRPEPHFFU-UHFFFAOYSA-N
XLogP4.03
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
prop-2-ynyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 75416781
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542475
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55998676
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 55995068
N-(6-methoxy-3-pyridinyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701834
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 31046848
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate (CID 55734605) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is CCC(=O)Nc1ccc(C(=O)COC(=O)Cc2nc(-c3cccs3)oc2C)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
The InChIKey is NVIZRKRPEPHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-3-19(25)22-15-8-6-14(7-9-15)17(24)12-27-20(26)11-16-13(2)28-21(23-16)18-5-4-10-29-18/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate has a molecular weight of 412.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55734605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).