N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C26H25N3O2 — CID 100762283

IUPACN-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C26H25N3O2/c1-3-19-11-7-8-18(2)25(19)27-23(30)16-17-24-28-26(29-31-24)22-14-12-21(13-15-22)20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyDMRJZRIEOAJCIP-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.85
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 100762283) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID100762283
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C26H25N3O2/c1-3-19-11-7-8-18(2)25(19)27-23(30)16-17-24-28-26(29-31-24)22-14-12-21(13-15-22)20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyDMRJZRIEOAJCIP-UHFFFAOYSA-N
XLogP5.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide 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-ethyl-6-methylphenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100763929
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 100762283) is N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DMRJZRIEOAJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-3-19-11-7-8-18(2)25(19)27-23(30)16-17-24-28-26(29-31-24)22-14-12-21(13-15-22)20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 411.51 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 100762283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).