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

C16H11BrN2O2 — CID 4022557

IUPAC2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Br)cc2)nc1/C=N/c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)15-19-14(16(20)21-15)10-18-13-4-2-1-3-5-13/h1-10,20H/b18-10+
InChIKeyNPQIIELCVTWZCT-VCHYOVAHSA-N
MW343.18 g/mol
LogP4.56
Rot. Bonds3

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

2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol (PubChem CID 4022557) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
PubChem CID4022557
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol
SMILESOc1oc(-c2ccc(Br)cc2)nc1/C=N/c1ccccc1
InChIInChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)15-19-14(16(20)21-15)10-18-13-4-2-1-3-5-13/h1-10,20H/b18-10+
InChIKeyNPQIIELCVTWZCT-VCHYOVAHSA-N
XLogP4.56
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.56
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-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol (CID 4022557) is 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol is Oc1oc(-c2ccc(Br)cc2)nc1/C=N/c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
The InChIKey is NPQIIELCVTWZCT-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)15-19-14(16(20)21-15)10-18-13-4-2-1-3-5-13/h1-10,20H/b18-10+.
What are the key properties of 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol?
2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol has a molecular weight of 343.18 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(phenyliminomethyl)-1,3-oxazol-5-ol is sourced from PubChem (CID 4022557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).