4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol

C17H14N2O2 — CID 3119112

IUPAC4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/Cc1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17-15(12-18-11-13-7-3-1-4-8-13)19-16(21-17)14-9-5-2-6-10-14/h1-10,12,20H,11H2/b18-12+
InChIKeyNSSRDMPOTKKYOY-LDADJPATSA-N
MW278.31 g/mol
LogP3.67
Rot. Bonds4

About 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol

4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol (PubChem CID 3119112) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
PubChem CID3119112
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccccc2)nc1/C=N/Cc1ccccc1
InChIInChI=1S/C17H14N2O2/c20-17-15(12-18-11-13-7-3-1-4-8-13)19-16(21-17)14-9-5-2-6-10-14/h1-10,12,20H,11H2/b18-12+
InChIKeyNSSRDMPOTKKYOY-LDADJPATSA-N
XLogP3.67
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.67
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 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol (CID 3119112) is 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol is Oc1oc(-c2ccccc2)nc1/C=N/Cc1ccccc1.
What is the InChIKey of 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is NSSRDMPOTKKYOY-LDADJPATSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17-15(12-18-11-13-7-3-1-4-8-13)19-16(21-17)14-9-5-2-6-10-14/h1-10,12,20H,11H2/b18-12+.
What are the key properties of 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol?
4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 278.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzyliminomethyl)-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 3119112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).