4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol

C21H16N2O3 — CID 5210378

IUPAC4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
SMILESCOc1ccc(/N=C/c2nc(-c3cccc4ccccc34)oc2O)cc1
InChIInChI=1S/C21H16N2O3/c1-25-16-11-9-15(10-12-16)22-13-19-21(24)26-20(23-19)18-8-4-6-14-5-2-3-7-17(14)18/h2-13,24H,1H3/b22-13+
InChIKeyOFNRASLCERUDHN-LPYMAVHISA-N
MW344.37 g/mol
LogP4.96
Rot. Bonds4

About 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol

4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol (PubChem CID 5210378) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
PubChem CID5210378
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
SMILESCOc1ccc(/N=C/c2nc(-c3cccc4ccccc34)oc2O)cc1
InChIInChI=1S/C21H16N2O3/c1-25-16-11-9-15(10-12-16)22-13-19-21(24)26-20(23-19)18-8-4-6-14-5-2-3-7-17(14)18/h2-13,24H,1H3/b22-13+
InChIKeyOFNRASLCERUDHN-LPYMAVHISA-N
XLogP4.96
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.96
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 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol (CID 5210378) is 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol is COc1ccc(/N=C/c2nc(-c3cccc4ccccc34)oc2O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol?
The InChIKey is OFNRASLCERUDHN-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-16-11-9-15(10-12-16)22-13-19-21(24)26-20(23-19)18-8-4-6-14-5-2-3-7-17(14)18/h2-13,24H,1H3/b22-13+.
What are the key properties of 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol?
4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol has a molecular weight of 344.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol is sourced from PubChem (CID 5210378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).