2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

C10H9N3O2 — CID 583538

IUPAC2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1ccccc1O
InChIInChI=1S/C10H9N3O2/c1-7-10(13-15-12-7)11-6-8-4-2-3-5-9(8)14/h2-6,14H,1H3/b11-6+
InChIKeyKKXRCFFPGVTIEY-IZZDOVSWSA-N
MW203.20 g/mol
LogP1.83
Rot. Bonds2

About 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 583538) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID583538
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1ccccc1O
InChIInChI=1S/C10H9N3O2/c1-7-10(13-15-12-7)11-6-8-4-2-3-5-9(8)14/h2-6,14H,1H3/b11-6+
InChIKeyKKXRCFFPGVTIEY-IZZDOVSWSA-N
XLogP1.83
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 583538) is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Cc1nonc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is KKXRCFFPGVTIEY-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-10(13-15-12-7)11-6-8-4-2-3-5-9(8)14/h2-6,14H,1H3/b11-6+.
What are the key properties of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 203.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 583538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).