ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate

C20H15N2O5P — CID 89098683

IUPACethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate
SMILESCCOC(=O)c1c(-c2nnc(-c3ccccc3)o2)c(=O)oc2cc(P)ccc12
InChIInChI=1S/C20H15N2O5P/c1-2-25-19(23)15-13-9-8-12(28)10-14(13)26-20(24)16(15)18-22-21-17(27-18)11-6-4-3-5-7-11/h3-10H,2,28H2,1H3
InChIKeyNBPAEUBDXWRCKJ-UHFFFAOYSA-N
MW394.32 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate

ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate (PubChem CID 89098683) has the molecular formula C20H15N2O5P and a molecular weight of 394.32 g/mol. Its IUPAC name is ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate
PubChem CID89098683
Molecular FormulaC20H15N2O5P
Molecular Weight394.32 g/mol
Exact Mass394.07
IUPAC Nameethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate
SMILESCCOC(=O)c1c(-c2nnc(-c3ccccc3)o2)c(=O)oc2cc(P)ccc12
InChIInChI=1S/C20H15N2O5P/c1-2-25-19(23)15-13-9-8-12(28)10-14(13)26-20(24)16(15)18-22-21-17(27-18)11-6-4-3-5-7-11/h3-10H,2,28H2,1H3
InChIKeyNBPAEUBDXWRCKJ-UHFFFAOYSA-N
XLogP3.19
TPSA95.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795
6-O-ethyl 7-O-methyl 2-oxo-3,4-diphenylchromene-6,7-dicarboxylate
CID 134912171
ethyl 7-amino-3-methyl-2-oxochromene-4-carboxylate
CID 141118474
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 6-chloro-2-methyl-4-oxo-7-phenylchromene-3-carboxylate
CID 134867911
ethyl 4-(4-hydroxy-2-oxochromen-3-yl)-2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 146163882
ethyl 2-ethyl-7-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867711
ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134868020
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
4-O-ethyl 2-O-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2647416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate (CID 89098683) is ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate is CCOC(=O)c1c(-c2nnc(-c3ccccc3)o2)c(=O)oc2cc(P)ccc12.
What is the InChIKey of ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate?
The InChIKey is NBPAEUBDXWRCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2O5P/c1-2-25-19(23)15-13-9-8-12(28)10-14(13)26-20(24)16(15)18-22-21-17(27-18)11-6-4-3-5-7-11/h3-10H,2,28H2,1H3.
What are the key properties of ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate?
ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate has a molecular weight of 394.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-phosphanylchromene-4-carboxylate is sourced from PubChem (CID 89098683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).