N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

C23H17N3O3S — CID 46275218

IUPACN-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESO=C(COCc1cc(-c2cccs2)on1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C23H17N3O3S/c27-22(14-28-13-15-12-20(29-26-15)21-10-5-11-30-21)25-23-16-6-1-3-8-18(16)24-19-9-4-2-7-17(19)23/h1-12H,13-14H2,(H,24,25,27)
InChIKeyVJJRPCQGLDNETA-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.26
Rot. Bonds6

About N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 46275218) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
PubChem CID46275218
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESO=C(COCc1cc(-c2cccs2)on1)Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C23H17N3O3S/c27-22(14-28-13-15-12-20(29-26-15)21-10-5-11-30-21)25-23-16-6-1-3-8-18(16)24-19-9-4-2-7-17(19)23/h1-12H,13-14H2,(H,24,25,27)
InChIKeyVJJRPCQGLDNETA-UHFFFAOYSA-N
XLogP5.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254206
N-[(4-propan-2-yloxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254235
N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906303
N-[(2R)-1-methoxypropan-2-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 29038507
N-(3-methoxypropyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906356
N-[2-(azepan-1-yl)ethyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906368
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254242
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
ethyl 2-[[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 17254151
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92705477
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722005
N-butyl-N-methyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906340

Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The IUPAC name of N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 46275218) is N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.
What is the SMILES notation for N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The canonical SMILES for N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is O=C(COCc1cc(-c2cccs2)on1)Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The InChIKey is VJJRPCQGLDNETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-22(14-28-13-15-12-20(29-26-15)21-10-5-11-30-21)25-23-16-6-1-3-8-18(16)24-19-9-4-2-7-17(19)23/h1-12H,13-14H2,(H,24,25,27).
What are the key properties of N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide has a molecular weight of 415.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-9-yl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 46275218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).