5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole

C12H15NO4 — CID 91802885

IUPAC5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESCOc1cc(OC)c(C2C=CNO2)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-14-8-6-10(15-2)12(11(7-8)16-3)9-4-5-13-17-9/h4-7,9,13H,1-3H3
InChIKeyLPKIVAOOFSMWRX-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.80
Rot. Bonds4

About 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole

5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91802885) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91802885
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESCOc1cc(OC)c(C2C=CNO2)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-14-8-6-10(15-2)12(11(7-8)16-3)9-4-5-13-17-9/h4-7,9,13H,1-3H3
InChIKeyLPKIVAOOFSMWRX-UHFFFAOYSA-N
XLogP1.80
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
5,7-dimethoxy-1H-inden-1-amine
CID 82158129
(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
CID 124552560
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
[2-(hydroxymethyl)-5-(2,4,6-trimethoxyphenyl)-1,3-dioxan-2-yl]methanol
CID 132605134
2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole (CID 91802885) is 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole is COc1cc(OC)c(C2C=CNO2)c(OC)c1.
What is the InChIKey of 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is LPKIVAOOFSMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-14-8-6-10(15-2)12(11(7-8)16-3)9-4-5-13-17-9/h4-7,9,13H,1-3H3.
What are the key properties of 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole?
5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 237.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethoxyphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91802885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).