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

C13H14N2O6 — CID 66190732

IUPAC[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol
SMILESCOCc1cc(COc2ccc(CO)cc2[N+](=O)[O-])no1
InChIInChI=1S/C13H14N2O6/c1-19-8-11-5-10(14-21-11)7-20-13-3-2-9(6-16)4-12(13)15(17)18/h2-5,16H,6-8H2,1H3
InChIKeyBOYWHARVAYMTHN-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.80
Rot. Bonds7

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

[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol (PubChem CID 66190732) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol
PubChem CID66190732
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol
SMILESCOCc1cc(COc2ccc(CO)cc2[N+](=O)[O-])no1
InChIInChI=1S/C13H14N2O6/c1-19-8-11-5-10(14-21-11)7-20-13-3-2-9(6-16)4-12(13)15(17)18/h2-5,16H,6-8H2,1H3
InChIKeyBOYWHARVAYMTHN-UHFFFAOYSA-N
XLogP1.80
TPSA107.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.80
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

4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrobenzaldehyde
CID 66155831
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-nitrobenzaldehyde
CID 66155835
1-[4-(hydroxymethyl)-2-nitrophenoxy]-3-methoxypropan-2-ol
CID 63929267
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092
[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326894
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol (CID 66190732) is [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol is COCc1cc(COc2ccc(CO)cc2[N+](=O)[O-])no1.
What is the InChIKey of [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol?
The InChIKey is BOYWHARVAYMTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O6/c1-19-8-11-5-10(14-21-11)7-20-13-3-2-9(6-16)4-12(13)15(17)18/h2-5,16H,6-8H2,1H3.
What are the key properties of [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol?
[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol has a molecular weight of 294.26 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 66190732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).