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

C16H12N4O3 — CID 678300

IUPAC2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1nonc1/N=C/c1ccccc1O
InChIInChI=1S/C16H12N4O3/c21-13-7-3-1-5-11(13)9-17-15-16(20-23-19-15)18-10-12-6-2-4-8-14(12)22/h1-10,21-22H/b17-9+,18-10+
InChIKeyONDFJNJJLJJHRH-BEQMOXJMSA-N
MW308.30 g/mol
LogP2.98
Rot. Bonds4

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

2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol (PubChem CID 678300) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol
PubChem CID678300
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1nonc1/N=C/c1ccccc1O
InChIInChI=1S/C16H12N4O3/c21-13-7-3-1-5-11(13)9-17-15-16(20-23-19-15)18-10-12-6-2-4-8-14(12)22/h1-10,21-22H/b17-9+,18-10+
InChIKeyONDFJNJJLJJHRH-BEQMOXJMSA-N
XLogP2.98
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol (CID 678300) is 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol is Oc1ccccc1/C=N/c1nonc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol?
The InChIKey is ONDFJNJJLJJHRH-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-13-7-3-1-5-11(13)9-17-15-16(20-23-19-15)18-10-12-6-2-4-8-14(12)22/h1-10,21-22H/b17-9+,18-10+.
What are the key properties of 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol?
2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol has a molecular weight of 308.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 678300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).