1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

C17H14ClN3O2 — CID 110652203

IUPAC1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C17H14ClN3O2/c1-11(22)12-5-4-6-13(9-12)19-10-16-20-21-17(23-16)14-7-2-3-8-15(14)18/h2-9,19H,10H2,1H3
InChIKeyBSNRQRQPUAJBIE-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.20
Rot. Bonds5

About 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone

1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (PubChem CID 110652203) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
PubChem CID110652203
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C17H14ClN3O2/c1-11(22)12-5-4-6-13(9-12)19-10-16-20-21-17(23-16)14-7-2-3-8-15(14)18/h2-9,19H,10H2,1H3
InChIKeyBSNRQRQPUAJBIE-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone 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

1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
CID 15990135
3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110653580
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trifluoroaniline
CID 75380564
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-piperidin-1-ylsulfonylaniline
CID 112796538
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110652353
N-(3-chlorophenyl)-3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334527
N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110651765
1-[3-[2-(2-chlorophenyl)ethylamino]phenyl]ethanone
CID 75397038

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone (CID 110652203) is 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is CC(=O)c1cccc(NCc2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
The InChIKey is BSNRQRQPUAJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11(22)12-5-4-6-13(9-12)19-10-16-20-21-17(23-16)14-7-2-3-8-15(14)18/h2-9,19H,10H2,1H3.
What are the key properties of 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone?
1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone has a molecular weight of 327.77 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone is sourced from PubChem (CID 110652203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).