2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol

C17H14N2O2 — CID 5050603

IUPAC2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3ccccc3)c(O)o2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)16-19-15(17(20)21-16)11-18-14-5-3-2-4-6-14/h2-11,20H,1H3/b18-11+
InChIKeyDSRMRUMUZRABLU-WOJGMQOQSA-N
MW278.31 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol

2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol (PubChem CID 5050603) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
PubChem CID5050603
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3ccccc3)c(O)o2)cc1
InChIInChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)16-19-15(17(20)21-16)11-18-14-5-3-2-4-6-14/h2-11,20H,1H3/b18-11+
InChIKeyDSRMRUMUZRABLU-WOJGMQOQSA-N
XLogP4.11
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol (CID 5050603) is 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol is Cc1ccc(-c2nc(/C=N/c3ccccc3)c(O)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The InChIKey is DSRMRUMUZRABLU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-7-9-13(10-8-12)16-19-15(17(20)21-16)11-18-14-5-3-2-4-6-14/h2-11,20H,1H3/b18-11+.
What are the key properties of 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol has a molecular weight of 278.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 5050603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).