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

C11H11N3O5 — CID 43472935

IUPAC[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
SMILESCc1nc(COc2ccc([N+](=O)[O-])cc2CO)no1
InChIInChI=1S/C11H11N3O5/c1-7-12-11(13-19-7)6-18-10-3-2-9(14(16)17)4-8(10)5-15/h2-4,15H,5-6H2,1H3
InChIKeyHITSUXSQKNPSAM-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.36
Rot. Bonds5

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

[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol (PubChem CID 43472935) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
PubChem CID43472935
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol
SMILESCc1nc(COc2ccc([N+](=O)[O-])cc2CO)no1
InChIInChI=1S/C11H11N3O5/c1-7-12-11(13-19-7)6-18-10-3-2-9(14(16)17)4-8(10)5-15/h2-4,15H,5-6H2,1H3
InChIKeyHITSUXSQKNPSAM-UHFFFAOYSA-N
XLogP1.36
TPSA111.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.36
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

[2-[(3,5-dimethylphenyl)methoxy]-5-nitrophenyl]methanol
CID 61029024
[2-[(4-methylphenyl)methoxy]-5-nitrophenyl]methanol
CID 43472911
[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol
CID 43472939
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
[5-nitro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61495645
[2-[(4-methoxyphenyl)methoxy]-5-nitrophenyl]methanol
CID 28964238
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-nitrophenyl]methanamine
CID 60880389
[4-methoxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61268872
3-[(2-chloro-4-nitrophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 47364532
[5-nitro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487358
ethyl 2-[2-(hydroxymethyl)-4-nitrophenoxy]acetate
CID 43472951
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol (CID 43472935) is [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol is Cc1nc(COc2ccc([N+](=O)[O-])cc2CO)no1.
What is the InChIKey of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol?
The InChIKey is HITSUXSQKNPSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-7-12-11(13-19-7)6-18-10-3-2-9(14(16)17)4-8(10)5-15/h2-4,15H,5-6H2,1H3.
What are the key properties of [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol?
[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol has a molecular weight of 265.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-nitrophenyl]methanol is sourced from PubChem (CID 43472935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).