(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol

C19H19NO5 — CID 10925882

IUPAC(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C19H19NO5/c1-13-15(20-19(25-13)17-6-4-10-23-17)12-24-16-8-7-14(5-3-9-21)11-18(16)22-2/h3-8,10-11,21H,9,12H2,1-2H3/b5-3+
InChIKeyBLDZWBAJSVRWQU-HWKANZROSA-N
MW341.36 g/mol
LogP3.84
Rot. Bonds7

About (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol

(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol (PubChem CID 10925882) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol
PubChem CID10925882
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol
SMILESCOc1cc(/C=C/CO)ccc1OCc1nc(-c2ccco2)oc1C
InChIInChI=1S/C19H19NO5/c1-13-15(20-19(25-13)17-6-4-10-23-17)12-24-16-8-7-14(5-3-9-21)11-18(16)22-2/h3-8,10-11,21H,9,12H2,1-2H3/b5-3+
InChIKeyBLDZWBAJSVRWQU-HWKANZROSA-N
XLogP3.84
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol (CID 10925882) is (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol is COc1cc(/C=C/CO)ccc1OCc1nc(-c2ccco2)oc1C.
What is the InChIKey of (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol?
The InChIKey is BLDZWBAJSVRWQU-HWKANZROSA-N. The full InChI is InChI=1S/C19H19NO5/c1-13-15(20-19(25-13)17-6-4-10-23-17)12-24-16-8-7-14(5-3-9-21)11-18(16)22-2/h3-8,10-11,21H,9,12H2,1-2H3/b5-3+.
What are the key properties of (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol?
(E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol has a molecular weight of 341.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]prop-2-en-1-ol is sourced from PubChem (CID 10925882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).