5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide

C13H10Cl3N3O2 — CID 36715203

IUPAC5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(C2CC2)on1
InChIInChI=1S/C13H10Cl3N3O2/c14-7-3-8(15)12(9(16)4-7)17-18-13(20)10-5-11(21-19-10)6-1-2-6/h3-6,17H,1-2H2,(H,18,20)
InChIKeySNIDQDLCXNPRDO-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.27
Rot. Bonds4

About 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide

5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 36715203) has the molecular formula C13H10Cl3N3O2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide
PubChem CID36715203
Molecular FormulaC13H10Cl3N3O2
Molecular Weight346.60 g/mol
Exact Mass344.98
IUPAC Name5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide
SMILESO=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(C2CC2)on1
InChIInChI=1S/C13H10Cl3N3O2/c14-7-3-8(15)12(9(16)4-7)17-18-13(20)10-5-11(21-19-10)6-1-2-6/h3-6,17H,1-2H2,(H,18,20)
InChIKeySNIDQDLCXNPRDO-UHFFFAOYSA-N
XLogP4.27
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.27
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 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide (CID 36715203) is 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide is O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is SNIDQDLCXNPRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O2/c14-7-3-8(15)12(9(16)4-7)17-18-13(20)10-5-11(21-19-10)6-1-2-6/h3-6,17H,1-2H2,(H,18,20).
What are the key properties of 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide?
5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 346.60 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N'-(2,4,6-trichlorophenyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 36715203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).