propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate

C19H19NO6 — CID 2303154

IUPACpropyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
SMILESCCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)o1
InChIInChI=1S/C19H19NO6/c1-4-9-24-19(22)16-8-7-15(25-16)17-11(2)20-26-18(17)13-6-5-12(23-3)10-14(13)21/h5-8,10,21H,4,9H2,1-3H3
InChIKeyWJNRDVAYSMVLKM-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.19
Rot. Bonds6

About propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate

propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate (PubChem CID 2303154) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
PubChem CID2303154
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namepropyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate
SMILESCCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)o1
InChIInChI=1S/C19H19NO6/c1-4-9-24-19(22)16-8-7-15(25-16)17-11(2)20-26-18(17)13-6-5-12(23-3)10-14(13)21/h5-8,10,21H,4,9H2,1-3H3
InChIKeyWJNRDVAYSMVLKM-UHFFFAOYSA-N
XLogP4.19
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
The IUPAC name of propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate (CID 2303154) is propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate.
What is the SMILES notation for propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
The canonical SMILES for propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate is CCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)o1.
What is the InChIKey of propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
The InChIKey is WJNRDVAYSMVLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-4-9-24-19(22)16-8-7-15(25-16)17-11(2)20-26-18(17)13-6-5-12(23-3)10-14(13)21/h5-8,10,21H,4,9H2,1-3H3.
What are the key properties of propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate?
propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[5-(2-hydroxy-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]furan-2-carboxylate is sourced from PubChem (CID 2303154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).