ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate

C14H11F3N2O5 — CID 53301619

IUPACethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
SMILESCCOC(=O)C1=NOC2(C1)C(=O)Nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H11F3N2O5/c1-2-22-11(20)10-6-13(24-19-10)8-5-7(23-14(15,16)17)3-4-9(8)18-12(13)21/h3-5H,2,6H2,1H3,(H,18,21)
InChIKeyMEXOOXQSKJQSPA-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.07
Rot. Bonds3

About ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate

ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate (PubChem CID 53301619) has the molecular formula C14H11F3N2O5 and a molecular weight of 344.25 g/mol. Its IUPAC name is ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
PubChem CID53301619
Molecular FormulaC14H11F3N2O5
Molecular Weight344.25 g/mol
Exact Mass344.06
IUPAC Nameethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
SMILESCCOC(=O)C1=NOC2(C1)C(=O)Nc1ccc(OC(F)(F)F)cc12
InChIInChI=1S/C14H11F3N2O5/c1-2-22-11(20)10-6-13(24-19-10)8-5-7(23-14(15,16)17)3-4-9(8)18-12(13)21/h3-5H,2,6H2,1H3,(H,18,21)
InChIKeyMEXOOXQSKJQSPA-UHFFFAOYSA-N
XLogP2.07
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
The IUPAC name of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate (CID 53301619) is ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
The canonical SMILES for ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate is CCOC(=O)C1=NOC2(C1)C(=O)Nc1ccc(OC(F)(F)F)cc12.
What is the InChIKey of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
The InChIKey is MEXOOXQSKJQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O5/c1-2-22-11(20)10-6-13(24-19-10)8-5-7(23-14(15,16)17)3-4-9(8)18-12(13)21/h3-5H,2,6H2,1H3,(H,18,21).
What are the key properties of ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate has a molecular weight of 344.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate is sourced from PubChem (CID 53301619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).