2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole

C15H8Cl2N2O3 — CID 21408768

IUPAC2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(-c2nc(Cl)oc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H8Cl2N2O3/c16-11-5-1-10(2-6-11)14-13(18-15(17)22-14)9-3-7-12(8-4-9)19(20)21/h1-8H
InChIKeyMVPFPBCSKRTPGH-UHFFFAOYSA-N
MW335.15 g/mol
LogP5.22
Rot. Bonds3

About 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole

2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole (PubChem CID 21408768) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole
PubChem CID21408768
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(-c2nc(Cl)oc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H8Cl2N2O3/c16-11-5-1-10(2-6-11)14-13(18-15(17)22-14)9-3-7-12(8-4-9)19(20)21/h1-8H
InChIKeyMVPFPBCSKRTPGH-UHFFFAOYSA-N
XLogP5.22
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.15
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole?
The IUPAC name of 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole (CID 21408768) is 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole is O=[N+]([O-])c1ccc(-c2nc(Cl)oc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole?
The InChIKey is MVPFPBCSKRTPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-11-5-1-10(2-6-11)14-13(18-15(17)22-14)9-3-7-12(8-4-9)19(20)21/h1-8H.
What are the key properties of 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole?
2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole has a molecular weight of 335.15 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole is sourced from PubChem (CID 21408768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).