(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide

C14H14Cl3N3O2 — CID 95275027

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESCc1noc(C)c1[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl3N3O2/c1-6(12-7(2)20-22-8(12)3)14(21)19-18-13-10(16)4-9(15)5-11(13)17/h4-6,18H,1-3H3,(H,19,21)/t6-/m1/s1
InChIKeyOWTXPDOBQDIGPM-ZCFIWIBFSA-N
MW362.64 g/mol
LogP4.50
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide (PubChem CID 95275027) has the molecular formula C14H14Cl3N3O2 and a molecular weight of 362.64 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
PubChem CID95275027
Molecular FormulaC14H14Cl3N3O2
Molecular Weight362.64 g/mol
Exact Mass361.02
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide
SMILESCc1noc(C)c1[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl3N3O2/c1-6(12-7(2)20-22-8(12)3)14(21)19-18-13-10(16)4-9(15)5-11(13)17/h4-6,18H,1-3H3,(H,19,21)/t6-/m1/s1
InChIKeyOWTXPDOBQDIGPM-ZCFIWIBFSA-N
XLogP4.50
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 54.50
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 (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide (CID 95275027) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide is Cc1noc(C)c1[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
The InChIKey is OWTXPDOBQDIGPM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C14H14Cl3N3O2/c1-6(12-7(2)20-22-8(12)3)14(21)19-18-13-10(16)4-9(15)5-11(13)17/h4-6,18H,1-3H3,(H,19,21)/t6-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide has a molecular weight of 362.64 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide is sourced from PubChem (CID 95275027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).