2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

C25H30N2O5 — CID 162789842

IUPAC2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOc1ccc(CNCC2OC(Cc3cc(COc4ccccc4)on3)CCC2O)cc1
InChIInChI=1S/C25H30N2O5/c1-29-20-9-7-18(8-10-20)15-26-16-25-24(28)12-11-22(31-25)13-19-14-23(32-27-19)17-30-21-5-3-2-4-6-21/h2-10,14,22,24-26,28H,11-13,15-17H2,1H3
InChIKeyAHSOGQZHTBGHGG-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.50
Rot. Bonds10

About 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 162789842) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID162789842
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOc1ccc(CNCC2OC(Cc3cc(COc4ccccc4)on3)CCC2O)cc1
InChIInChI=1S/C25H30N2O5/c1-29-20-9-7-18(8-10-20)15-26-16-25-24(28)12-11-22(31-25)13-19-14-23(32-27-19)17-30-21-5-3-2-4-6-21/h2-10,14,22,24-26,28H,11-13,15-17H2,1H3
InChIKeyAHSOGQZHTBGHGG-UHFFFAOYSA-N
XLogP3.50
TPSA85.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol with MolForge

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Related Compounds

2-[(benzylamino)methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 162789947
(2R,3S,6S)-6-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-[[(4-methoxyphenyl)methylamino]methyl]oxan-3-ol
CID 100584360
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]cyclobutanecarboxamide
CID 75536328
2-[(1H-indol-3-ylmethylamino)methyl]-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 162806642
(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 86769373
N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-4-methoxybenzamide
CID 162789869
6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-[(propan-2-ylamino)methyl]oxan-3-ol
CID 162800550
N-[[3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-phenoxyacetamide
CID 162790170
6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(piperidin-4-ylamino)methyl]oxan-3-ol
CID 163057718
1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 162789688
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]pyrazine-2-carboxamide
CID 75367017

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 162789842) is 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is COc1ccc(CNCC2OC(Cc3cc(COc4ccccc4)on3)CCC2O)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is AHSOGQZHTBGHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-29-20-9-7-18(8-10-20)15-26-16-25-24(28)12-11-22(31-25)13-19-14-23(32-27-19)17-30-21-5-3-2-4-6-21/h2-10,14,22,24-26,28H,11-13,15-17H2,1H3.
What are the key properties of 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 438.52 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methylamino]methyl]-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 162789842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).