N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide

C10H7Cl2N3O2 — CID 2811010

IUPACN'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNc1cc(Cl)ccc1Cl)c1ccno1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-15-10(16)9-3-4-13-17-9/h1-5,14H,(H,15,16)
InChIKeyQRDSVEMXPVSSRC-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.74
Rot. Bonds3

About N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide

N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 2811010) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID2811010
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC NameN'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide
SMILESO=C(NNc1cc(Cl)ccc1Cl)c1ccno1
InChIInChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-15-10(16)9-3-4-13-17-9/h1-5,14H,(H,15,16)
InChIKeyQRDSVEMXPVSSRC-UHFFFAOYSA-N
XLogP2.74
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide (CID 2811010) is N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide is O=C(NNc1cc(Cl)ccc1Cl)c1ccno1.
What is the InChIKey of N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is QRDSVEMXPVSSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-6-1-2-7(12)8(5-6)14-15-10(16)9-3-4-13-17-9/h1-5,14H,(H,15,16).
What are the key properties of N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide?
N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 272.09 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 2811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).