2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

C14H14Cl3N3O2 — CID 2231342

IUPAC2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H14Cl3N3O2/c1-9(2)20(13(21)14(15,16)17)8-11-18-12(19-22-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyQWPLZBDOGLSULZ-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.84
Rot. Bonds4

About 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide

2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 2231342) has the molecular formula C14H14Cl3N3O2 and a molecular weight of 362.64 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
PubChem CID2231342
Molecular FormulaC14H14Cl3N3O2
Molecular Weight362.64 g/mol
Exact Mass361.02
IUPAC Name2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H14Cl3N3O2/c1-9(2)20(13(21)14(15,16)17)8-11-18-12(19-22-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyQWPLZBDOGLSULZ-UHFFFAOYSA-N
XLogP3.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide (CID 2231342) is 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is QWPLZBDOGLSULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3O2/c1-9(2)20(13(21)14(15,16)17)8-11-18-12(19-22-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide?
2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 362.64 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2231342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).