morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C17H22N2O6 — CID 3242700

IUPACmorpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1cc(C2=NOC(C(=O)N3CCOCC3)C2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O6/c1-21-13-8-11(9-14(22-2)16(13)23-3)12-10-15(25-18-12)17(20)19-4-6-24-7-5-19/h8-9,15H,4-7,10H2,1-3H3
InChIKeyAOYLSVZTAMDGJY-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.06
Rot. Bonds5

About morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 3242700) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID3242700
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Namemorpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1cc(C2=NOC(C(=O)N3CCOCC3)C2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O6/c1-21-13-8-11(9-14(22-2)16(13)23-3)12-10-15(25-18-12)17(20)19-4-6-24-7-5-19/h8-9,15H,4-7,10H2,1-3H3
InChIKeyAOYLSVZTAMDGJY-UHFFFAOYSA-N
XLogP1.06
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 3242700) is morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1cc(C2=NOC(C(=O)N3CCOCC3)C2)cc(OC)c1OC.
What is the InChIKey of morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is AOYLSVZTAMDGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-21-13-8-11(9-14(22-2)16(13)23-3)12-10-15(25-18-12)17(20)19-4-6-24-7-5-19/h8-9,15H,4-7,10H2,1-3H3.
What are the key properties of morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 350.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 3242700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).