5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

C16H10Cl2N4O — CID 23725571

IUPAC5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESClc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1Cl
InChIInChI=1S/C16H10Cl2N4O/c17-12-3-1-9(6-13(12)18)15-8-19-16(23-15)21-11-2-4-14-10(5-11)7-20-22-14/h1-8H,(H,19,21)(H,20,22)
InChIKeyGIHSJDLFPUHTLC-UHFFFAOYSA-N
MW345.19 g/mol
LogP5.27
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine

5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (PubChem CID 23725571) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
PubChem CID23725571
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine
SMILESClc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1Cl
InChIInChI=1S/C16H10Cl2N4O/c17-12-3-1-9(6-13(12)18)15-8-19-16(23-15)21-11-2-4-14-10(5-11)7-20-22-14/h1-8H,(H,19,21)(H,20,22)
InChIKeyGIHSJDLFPUHTLC-UHFFFAOYSA-N
XLogP5.27
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.19
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine (CID 23725571) is 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is Clc1ccc(-c2cnc(Nc3ccc4[nH]ncc4c3)o2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
The InChIKey is GIHSJDLFPUHTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c17-12-3-1-9(6-13(12)18)15-8-19-16(23-15)21-11-2-4-14-10(5-11)7-20-22-14/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine?
5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine has a molecular weight of 345.19 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(1H-indazol-5-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 23725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).