ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate

C15H13N3O4 — CID 122370906

IUPACethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(N)c2nc(-c3ccccc3)oc2[nH]c1=O
InChIInChI=1S/C15H13N3O4/c1-2-21-15(20)9-10(16)11-14(18-12(9)19)22-13(17-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,16,18,19)
InChIKeyOVAFZCQRCITMGD-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.94
Rot. Bonds3

About ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate

ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 122370906) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate
PubChem CID122370906
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Nameethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(N)c2nc(-c3ccccc3)oc2[nH]c1=O
InChIInChI=1S/C15H13N3O4/c1-2-21-15(20)9-10(16)11-14(18-12(9)19)22-13(17-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,16,18,19)
InChIKeyOVAFZCQRCITMGD-UHFFFAOYSA-N
XLogP1.94
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
ethyl 2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)furan-3-carboxylate
CID 10406161
ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135957256
ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate (CID 122370906) is ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1c(N)c2nc(-c3ccccc3)oc2[nH]c1=O.
What is the InChIKey of ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is OVAFZCQRCITMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-2-21-15(20)9-10(16)11-14(18-12(9)19)22-13(17-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,16,18,19).
What are the key properties of ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate?
ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-5-oxo-2-phenyl-4H-[1,3]oxazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 122370906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).