2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol

C25H27NO5 — CID 56669686

IUPAC2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol
SMILESCOc1ccc(-c2cc(COCC3(C)C=Cc4c(C)c(O)c(C)c(C)c4O3)on2)cc1
InChIInChI=1S/C25H27NO5/c1-15-16(2)24-21(17(3)23(15)27)10-11-25(4,30-24)14-29-13-20-12-22(26-31-20)18-6-8-19(28-5)9-7-18/h6-12,27H,13-14H2,1-5H3
InChIKeyDRSXEYJDSFMYPQ-UHFFFAOYSA-N
MW421.49 g/mol
LogP5.36
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol

2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol (PubChem CID 56669686) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol
PubChem CID56669686
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol
SMILESCOc1ccc(-c2cc(COCC3(C)C=Cc4c(C)c(O)c(C)c(C)c4O3)on2)cc1
InChIInChI=1S/C25H27NO5/c1-15-16(2)24-21(17(3)23(15)27)10-11-25(4,30-24)14-29-13-20-12-22(26-31-20)18-6-8-19(28-5)9-7-18/h6-12,27H,13-14H2,1-5H3
InChIKeyDRSXEYJDSFMYPQ-UHFFFAOYSA-N
XLogP5.36
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol (CID 56669686) is 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol is COc1ccc(-c2cc(COCC3(C)C=Cc4c(C)c(O)c(C)c(C)c4O3)on2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol?
The InChIKey is DRSXEYJDSFMYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-15-16(2)24-21(17(3)23(15)27)10-11-25(4,30-24)14-29-13-20-12-22(26-31-20)18-6-8-19(28-5)9-7-18/h6-12,27H,13-14H2,1-5H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol?
2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol has a molecular weight of 421.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methoxymethyl]-2,5,7,8-tetramethylchromen-6-ol is sourced from PubChem (CID 56669686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).