propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate

C24H27NO7 — CID 10863118

IUPACpropan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate
SMILESCOc1cc(CCCC(=O)C(=O)OC(C)C)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C24H27NO7/c1-15(2)31-24(27)19(26)8-5-7-17-10-11-20(22(13-17)28-4)30-14-18-16(3)32-23(25-18)21-9-6-12-29-21/h6,9-13,15H,5,7-8,14H2,1-4H3
InChIKeyHJMGLPSXDLBDIX-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.67
Rot. Bonds11

About propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate

propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate (PubChem CID 10863118) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate
PubChem CID10863118
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Namepropan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate
SMILESCOc1cc(CCCC(=O)C(=O)OC(C)C)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C24H27NO7/c1-15(2)31-24(27)19(26)8-5-7-17-10-11-20(22(13-17)28-4)30-14-18-16(3)32-23(25-18)21-9-6-12-29-21/h6,9-13,15H,5,7-8,14H2,1-4H3
InChIKeyHJMGLPSXDLBDIX-UHFFFAOYSA-N
XLogP4.67
TPSA101.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate?
The IUPAC name of propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate (CID 10863118) is propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate.
What is the SMILES notation for propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate?
The canonical SMILES for propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate is COc1cc(CCCC(=O)C(=O)OC(C)C)ccc1OCc1nc(-c2ccco2)oc1C.
What is the InChIKey of propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate?
The InChIKey is HJMGLPSXDLBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-15(2)31-24(27)19(26)8-5-7-17-10-11-20(22(13-17)28-4)30-14-18-16(3)32-23(25-18)21-9-6-12-29-21/h6,9-13,15H,5,7-8,14H2,1-4H3.
What are the key properties of propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate?
propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate has a molecular weight of 441.48 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]-2-oxopentanoate is sourced from PubChem (CID 10863118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).