[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol

C19H18N2O6 — CID 23076542

IUPAC[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)oc1C
InChIInChI=1S/C19H18N2O6/c1-12-16(11-26-17-7-6-13(10-22)8-18(17)25-2)20-19(27-12)14-4-3-5-15(9-14)21(23)24/h3-9,22H,10-11H2,1-2H3
InChIKeyYKZCJGICOHVNOW-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.64
Rot. Bonds7

About [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol

[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol (PubChem CID 23076542) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol
PubChem CID23076542
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)oc1C
InChIInChI=1S/C19H18N2O6/c1-12-16(11-26-17-7-6-13(10-22)8-18(17)25-2)20-19(27-12)14-4-3-5-15(9-14)21(23)24/h3-9,22H,10-11H2,1-2H3
InChIKeyYKZCJGICOHVNOW-UHFFFAOYSA-N
XLogP3.64
TPSA107.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]acetate
CID 86605727
2-[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]ethanol
CID 25147932
methyl 2-[4-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 69214137
3-[4-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzonitrile
CID 69216863
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
4-[[4-[3-(1,3-dioxolan-2-yl)propyl]-2-methoxyphenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 21224406
sodium 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate
CID 59571762
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
methyl 3-[4-[[4-(hydroxymethyl)phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 23076400
[1-benzyl-3-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]pyrazol-4-yl]methanol
CID 69217757
sodium 4-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxybutanoate
CID 59571763
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine
CID 66858018

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol (CID 23076542) is [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol is COc1cc(CO)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)oc1C.
What is the InChIKey of [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is YKZCJGICOHVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-12-16(11-26-17-7-6-13(10-22)8-18(17)25-2)20-19(27-12)14-4-3-5-15(9-14)21(23)24/h3-9,22H,10-11H2,1-2H3.
What are the key properties of [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol?
[3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 370.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[[5-methyl-2-(3-nitrophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 23076542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).