ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate

C24H23FN4O5 — CID 168951194

IUPACethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1(c2ccon2)CN=C(Nc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)O1
InChIInChI=1S/C24H23FN4O5/c1-3-32-22(30)24(19-8-10-33-29-19)13-27-23(34-24)28-21-16-6-4-5-15(16)18(25)12-17(21)14-7-9-26-20(11-14)31-2/h7-12H,3-6,13H2,1-2H3,(H,27,28)
InChIKeyIUKVRMGXSVQUTQ-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.63
Rot. Bonds6

About ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate

ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate (PubChem CID 168951194) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
PubChem CID168951194
Molecular FormulaC24H23FN4O5
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Nameethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)C1(c2ccon2)CN=C(Nc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)O1
InChIInChI=1S/C24H23FN4O5/c1-3-32-22(30)24(19-8-10-33-29-19)13-27-23(34-24)28-21-16-6-4-5-15(16)18(25)12-17(21)14-7-9-26-20(11-14)31-2/h7-12H,3-6,13H2,1-2H3,(H,27,28)
InChIKeyIUKVRMGXSVQUTQ-UHFFFAOYSA-N
XLogP3.63
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate (CID 168951194) is ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate is CCOC(=O)C1(c2ccon2)CN=C(Nc2c(-c3ccnc(OC)c3)cc(F)c3c2CCC3)O1.
What is the InChIKey of ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
The InChIKey is IUKVRMGXSVQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c1-3-32-22(30)24(19-8-10-33-29-19)13-27-23(34-24)28-21-16-6-4-5-15(16)18(25)12-17(21)14-7-9-26-20(11-14)31-2/h7-12H,3-6,13H2,1-2H3,(H,27,28).
What are the key properties of ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate?
ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate has a molecular weight of 466.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[7-fluoro-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 168951194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).