2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol

C15H12N2O4 — CID 2830785

IUPAC2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol
SMILESO=[N+]([O-])C1C(c2ccccc2)=NOC1c1ccccc1O
InChIInChI=1S/C15H12N2O4/c18-12-9-5-4-8-11(12)15-14(17(19)20)13(16-21-15)10-6-2-1-3-7-10/h1-9,14-15,18H
InChIKeyQJFLYAWSLQPDNK-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol

2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol (PubChem CID 2830785) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol
PubChem CID2830785
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol
SMILESO=[N+]([O-])C1C(c2ccccc2)=NOC1c1ccccc1O
InChIInChI=1S/C15H12N2O4/c18-12-9-5-4-8-11(12)15-14(17(19)20)13(16-21-15)10-6-2-1-3-7-10/h1-9,14-15,18H
InChIKeyQJFLYAWSLQPDNK-UHFFFAOYSA-N
XLogP2.51
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol?
The IUPAC name of 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol (CID 2830785) is 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol is O=[N+]([O-])C1C(c2ccccc2)=NOC1c1ccccc1O.
What is the InChIKey of 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol?
The InChIKey is QJFLYAWSLQPDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-12-9-5-4-8-11(12)15-14(17(19)20)13(16-21-15)10-6-2-1-3-7-10/h1-9,14-15,18H.
What are the key properties of 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol?
2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol has a molecular weight of 284.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 2830785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).