2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol

C15H10ClN3O2 — CID 3426164

IUPAC2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Cl)cc2)nc1C=Nc1ccccn1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-4-10(5-7-11)14-19-12(15(20)21-14)9-18-13-3-1-2-8-17-13/h1-9,20H
InChIKeySECKSZYPCRQFGZ-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol

2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol (PubChem CID 3426164) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
PubChem CID3426164
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Cl)cc2)nc1C=Nc1ccccn1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-4-10(5-7-11)14-19-12(15(20)21-14)9-18-13-3-1-2-8-17-13/h1-9,20H
InChIKeySECKSZYPCRQFGZ-UHFFFAOYSA-N
XLogP3.85
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.85
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

4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol
CID 135492005
2-(4-bromophenyl)-4-[(E)-pyrimidin-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135684440
4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4277075
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
4-[(3-methyl-2-pyridinyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 3983604
2-[4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]phenyl]acetonitrile
CID 5009065
[2-phenyl-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-yl] acetate
CID 659050
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
CID 4022557
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
2-phenyl-4-[(E)-1,3-thiazol-2-yliminomethyl]-1,3-oxazol-5-ol
CID 135432812
4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 137141289

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol (CID 3426164) is 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol is Oc1oc(-c2ccc(Cl)cc2)nc1C=Nc1ccccn1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol?
The InChIKey is SECKSZYPCRQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-6-4-10(5-7-11)14-19-12(15(20)21-14)9-18-13-3-1-2-8-17-13/h1-9,20H.
What are the key properties of 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol?
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol has a molecular weight of 299.72 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 3426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).