2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C17H12Cl3N3O3 — CID 30334549

IUPAC2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)C(Cl)(Cl)Cl
InChIInChI=1S/C17H12Cl3N3O3/c18-17(19,20)16(24)21-13-9-5-4-8-12(13)15-22-14(23-26-15)10-25-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)
InChIKeyHFDRPIOOLXVNDA-UHFFFAOYSA-N
MW412.66 g/mol
LogP4.62
Rot. Bonds5

About 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 30334549) has the molecular formula C17H12Cl3N3O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID30334549
Molecular FormulaC17H12Cl3N3O3
Molecular Weight412.66 g/mol
Exact Mass410.99
IUPAC Name2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)C(Cl)(Cl)Cl
InChIInChI=1S/C17H12Cl3N3O3/c18-17(19,20)16(24)21-13-9-5-4-8-12(13)15-22-14(23-26-15)10-25-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)
InChIKeyHFDRPIOOLXVNDA-UHFFFAOYSA-N
XLogP4.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]pentanamide
CID 30333454
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]hexanamide
CID 30333388
2-chloro-4-nitro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30330377
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
2-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 103028833
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 30334549) is 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is HFDRPIOOLXVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O3/c18-17(19,20)16(24)21-13-9-5-4-8-12(13)15-22-14(23-26-15)10-25-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24).
What are the key properties of 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 412.66 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 30334549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).