N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C24H28N4O4S — CID 24627594

IUPACN-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C24H28N4O4S/c1-17-20(26-24(32-17)22-3-2-14-33-22)16-23(29)25-19-5-4-18(27-6-10-30-11-7-27)15-21(19)28-8-12-31-13-9-28/h2-5,14-15H,6-13,16H2,1H3,(H,25,29)
InChIKeyBTXNELZNRXGFEV-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.57
Rot. Bonds6

About N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 24627594) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID24627594
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C24H28N4O4S/c1-17-20(26-24(32-17)22-3-2-14-33-22)16-23(29)25-19-5-4-18(27-6-10-30-11-7-27)15-21(19)28-8-12-31-13-9-28/h2-5,14-15H,6-13,16H2,1H3,(H,25,29)
InChIKeyBTXNELZNRXGFEV-UHFFFAOYSA-N
XLogP3.57
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 24627594) is N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is BTXNELZNRXGFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-20(26-24(32-17)22-3-2-14-33-22)16-23(29)25-19-5-4-18(27-6-10-30-11-7-27)15-21(19)28-8-12-31-13-9-28/h2-5,14-15H,6-13,16H2,1H3,(H,25,29).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 24627594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).