[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol

C11H10N2O5 — CID 43472939

IUPAC[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2ccno2)c(CO)c1
InChIInChI=1S/C11H10N2O5/c14-6-8-5-9(13(15)16)1-2-11(8)17-7-10-3-4-12-18-10/h1-5,14H,6-7H2
InChIKeyWSPSEZCDSHWZDG-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.65
Rot. Bonds5

About [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol

[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol (PubChem CID 43472939) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol
PubChem CID43472939
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(OCc2ccno2)c(CO)c1
InChIInChI=1S/C11H10N2O5/c14-6-8-5-9(13(15)16)1-2-11(8)17-7-10-3-4-12-18-10/h1-5,14H,6-7H2
InChIKeyWSPSEZCDSHWZDG-UHFFFAOYSA-N
XLogP1.65
TPSA98.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-methyl-1-[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 60889775
N-[[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60888640
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
CID 43472935
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
[5-nitro-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64564855
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
[2-[(2,3-dichlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 107306792

Frequently Asked Questions

What is the IUPAC name of [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol (CID 43472939) is [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol is O=[N+]([O-])c1ccc(OCc2ccno2)c(CO)c1.
What is the InChIKey of [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol?
The InChIKey is WSPSEZCDSHWZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-6-8-5-9(13(15)16)1-2-11(8)17-7-10-3-4-12-18-10/h1-5,14H,6-7H2.
What are the key properties of [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol?
[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol has a molecular weight of 250.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 43472939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).