2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide

C22H15N5O2 — CID 172811861

IUPAC2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnn1)c1coc(-c2ccc3cc4ccccc4nc3c2)n1
InChIInChI=1S/C22H15N5O2/c28-21(23-12-17-5-3-9-24-27-17)20-13-29-22(26-20)16-8-7-15-10-14-4-1-2-6-18(14)25-19(15)11-16/h1-11,13H,12H2,(H,23,28)
InChIKeySHAHITALMWPENU-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.76
Rot. Bonds4

About 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide

2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 172811861) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID172811861
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnn1)c1coc(-c2ccc3cc4ccccc4nc3c2)n1
InChIInChI=1S/C22H15N5O2/c28-21(23-12-17-5-3-9-24-27-17)20-13-29-22(26-20)16-8-7-15-10-14-4-1-2-6-18(14)25-19(15)11-16/h1-11,13H,12H2,(H,23,28)
InChIKeySHAHITALMWPENU-UHFFFAOYSA-N
XLogP3.76
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
CID 106832238
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897654
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridazine-3-carboxamide
CID 106897771
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
CID 58120099
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040

Frequently Asked Questions

What is the IUPAC name of 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 172811861) is 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1cccnn1)c1coc(-c2ccc3cc4ccccc4nc3c2)n1.
What is the InChIKey of 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is SHAHITALMWPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c28-21(23-12-17-5-3-9-24-27-17)20-13-29-22(26-20)16-8-7-15-10-14-4-1-2-6-18(14)25-19(15)11-16/h1-11,13H,12H2,(H,23,28).
What are the key properties of 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-3-yl-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 172811861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).