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

C15H11ClN3O2+ — CID 135492005

IUPAC2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Cl)cc2)nc1/C=N/c1ccc[nH+]c1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-19-13(15(20)21-14)9-18-12-2-1-7-17-8-12/h1-9,20H/p+1/b18-9+
InChIKeyMEDUUPSMXCDYTP-GIJQJNRQSA-O
MW300.73 g/mol
LogP3.27
Rot. Bonds3

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

2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol (PubChem CID 135492005) has the molecular formula C15H11ClN3O2+ and a molecular weight of 300.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol
PubChem CID135492005
Molecular FormulaC15H11ClN3O2+
Molecular Weight300.73 g/mol
Exact Mass300.05
IUPAC Name2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Cl)cc2)nc1/C=N/c1ccc[nH+]c1
InChIInChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-19-13(15(20)21-14)9-18-12-2-1-7-17-8-12/h1-9,20H/p+1/b18-9+
InChIKeyMEDUUPSMXCDYTP-GIJQJNRQSA-O
XLogP3.27
TPSA72.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoic acid
CID 4277075
ethyl 3-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]benzoate
CID 4654429
4-[(2-bromophenyl)iminomethyl]-2-(4-chlorophenyl)-1,3-oxazol-5-ol
CID 5201918
2-(4-chlorophenyl)-4-(pyridin-2-yliminomethyl)-1,3-oxazol-5-ol
CID 3426164
2-[4-[[2-(4-chlorophenyl)-5-hydroxy-1,3-oxazol-4-yl]methylideneamino]phenyl]acetonitrile
CID 5009065
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-[(4-sulfanylphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 137235106
4-[(2-chlorophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 4247751
4-[(3-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571302
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 5016002
2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol
CID 4102719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol (CID 135492005) is 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol is Oc1oc(-c2ccc(Cl)cc2)nc1/C=N/c1ccc[nH+]c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol?
The InChIKey is MEDUUPSMXCDYTP-GIJQJNRQSA-O. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-5-3-10(4-6-11)14-19-13(15(20)21-14)9-18-12-2-1-7-17-8-12/h1-9,20H/p+1/b18-9+.
What are the key properties of 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol?
2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol has a molecular weight of 300.73 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(pyridin-1-ium-3-yliminomethyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 135492005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).