ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate

C20H16N2O3 — CID 10065337

IUPACethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2c3ccccc3nc3ccccc23)noc1C
InChIInChI=1S/C20H16N2O3/c1-3-24-20(23)17-12(2)25-22-19(17)18-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)18/h4-11H,3H2,1-2H3
InChIKeyVDKDDHOIMWRYGM-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.53
Rot. Bonds3

About ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate

ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 10065337) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID10065337
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Nameethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2c3ccccc3nc3ccccc23)noc1C
InChIInChI=1S/C20H16N2O3/c1-3-24-20(23)17-12(2)25-22-19(17)18-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)18/h4-11H,3H2,1-2H3
InChIKeyVDKDDHOIMWRYGM-UHFFFAOYSA-N
XLogP4.53
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-methyl-3-(2-methylnaphthalen-1-yl)-1,2-oxazole-4-carboxylate
CID 102309200
ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 3-(10-bromoanthracen-9-yl)-5-(2-phenylethyl)-1,2-oxazole-4-carboxylate
CID 13009940
ethyl 5-methyl-3-(2-phenyltriazol-4-yl)-1,2-oxazole-4-carboxylate
CID 24774502
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
CID 10834680
ethyl 5-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylate
CID 134367383
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate
CID 4533117
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate (CID 10065337) is ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(-c2c3ccccc3nc3ccccc23)noc1C.
What is the InChIKey of ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is VDKDDHOIMWRYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-3-24-20(23)17-12(2)25-22-19(17)18-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)18/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10065337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).