ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate

C25H28N4O6 — CID 69423998

IUPACethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate
SMILESCCOC(=O)CCc1cn(Cc2ccnc(OCc3nc(-c4ccco4)oc3C)c2)nc1OCC
InChIInChI=1S/C25H28N4O6/c1-4-31-23(30)9-8-19-15-29(28-24(19)32-5-2)14-18-10-11-26-22(13-18)34-16-20-17(3)35-25(27-20)21-7-6-12-33-21/h6-7,10-13,15H,4-5,8-9,14,16H2,1-3H3
InChIKeyHQVCKHHFAUSLST-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.36
Rot. Bonds12

About ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate

ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate (PubChem CID 69423998) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate
PubChem CID69423998
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Nameethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate
SMILESCCOC(=O)CCc1cn(Cc2ccnc(OCc3nc(-c4ccco4)oc3C)c2)nc1OCC
InChIInChI=1S/C25H28N4O6/c1-4-31-23(30)9-8-19-15-29(28-24(19)32-5-2)14-18-10-11-26-22(13-18)34-16-20-17(3)35-25(27-20)21-7-6-12-33-21/h6-7,10-13,15H,4-5,8-9,14,16H2,1-3H3
InChIKeyHQVCKHHFAUSLST-UHFFFAOYSA-N
XLogP4.36
TPSA114.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate (CID 69423998) is ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate is CCOC(=O)CCc1cn(Cc2ccnc(OCc3nc(-c4ccco4)oc3C)c2)nc1OCC.
What is the InChIKey of ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate?
The InChIKey is HQVCKHHFAUSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-4-31-23(30)9-8-19-15-29(28-24(19)32-5-2)14-18-10-11-26-22(13-18)34-16-20-17(3)35-25(27-20)21-7-6-12-33-21/h6-7,10-13,15H,4-5,8-9,14,16H2,1-3H3.
What are the key properties of ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate?
ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate has a molecular weight of 480.52 g/mol, XLogP of 4.36, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-ethoxy-1-[[2-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-4-pyridinyl]methyl]pyrazol-4-yl]propanoate is sourced from PubChem (CID 69423998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).