2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol

C18H16N2O2 — CID 5169865

IUPAC2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3cccc(C)c3)c(O)o2)cc1
InChIInChI=1S/C18H16N2O2/c1-12-6-8-14(9-7-12)17-20-16(18(21)22-17)11-19-15-5-3-4-13(2)10-15/h3-11,21H,1-2H3/b19-11+
InChIKeySWFAMPNIRCJUGF-YBFXNURJSA-N
MW292.34 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol

2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 5169865) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID5169865
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCc1ccc(-c2nc(/C=N/c3cccc(C)c3)c(O)o2)cc1
InChIInChI=1S/C18H16N2O2/c1-12-6-8-14(9-7-12)17-20-16(18(21)22-17)11-19-15-5-3-4-13(2)10-15/h3-11,21H,1-2H3/b19-11+
InChIKeySWFAMPNIRCJUGF-YBFXNURJSA-N
XLogP4.41
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.41
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-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol (CID 5169865) is 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol is Cc1ccc(-c2nc(/C=N/c3cccc(C)c3)c(O)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is SWFAMPNIRCJUGF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-6-8-14(9-7-12)17-20-16(18(21)22-17)11-19-15-5-3-4-13(2)10-15/h3-11,21H,1-2H3/b19-11+.
What are the key properties of 2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(4-methylphenyl)-4-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 292.34 g/mol, XLogP of 4.41, 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-[(3-methylphenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 5169865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).