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

C10H8ClN3O2 — CID 5052832

IUPAC4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C10H8ClN3O2/c1-6-10(14-16-13-6)12-5-7-4-8(11)2-3-9(7)15/h2-5,15H,1H3/b12-5+
InChIKeyWDOOLRLOAMTCGP-LFYBBSHMSA-N
MW237.65 g/mol
LogP2.49
Rot. Bonds2

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

4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 5052832) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID5052832
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C10H8ClN3O2/c1-6-10(14-16-13-6)12-5-7-4-8(11)2-3-9(7)15/h2-5,15H,1H3/b12-5+
InChIKeyWDOOLRLOAMTCGP-LFYBBSHMSA-N
XLogP2.49
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 583538
CID 583538
CID 135851325
CID 135851325
CID 2867079
CID 2867079
CID 1833775
CID 1833775
CID 3112400
CID 3112400
CID 3533146
CID 3533146
CID 3533148
CID 3533148
CID 3544924
CID 3544924
CID 4986282
CID 4986282
CID 5052833
CID 5052833
CID 135531715
CID 135531715
CID 135647004
CID 135647004

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 5052832) is 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Cc1nonc1/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is WDOOLRLOAMTCGP-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-10(14-16-13-6)12-5-7-4-8(11)2-3-9(7)15/h2-5,15H,1H3/b12-5+.
What are the key properties of 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 237.65 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 5052832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).