[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate

C30H25N3O5 — CID 92713026

IUPAC[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2ccc(NC(=O)c3cccc(C)c3)cc2)O1
InChIInChI=1S/C30H25N3O5/c1-18-7-6-9-23(17-18)28(36)31-24-14-11-22(12-15-24)30-33(19(2)34)32-29(38-30)27-25-10-5-4-8-21(25)13-16-26(27)37-20(3)35/h4-17,30H,1-3H3,(H,31,36)/t30-/m1/s1
InChIKeyHVDFDRWNLYCQMT-SSEXGKCCSA-N
MW507.55 g/mol
LogP5.56
Rot. Bonds5

About [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate

[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate (PubChem CID 92713026) has the molecular formula C30H25N3O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
PubChem CID92713026
Molecular FormulaC30H25N3O5
Molecular Weight507.55 g/mol
Exact Mass507.18
IUPAC Name[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2ccc(NC(=O)c3cccc(C)c3)cc2)O1
InChIInChI=1S/C30H25N3O5/c1-18-7-6-9-23(17-18)28(36)31-24-14-11-22(12-15-24)30-33(19(2)34)32-29(38-30)27-25-10-5-4-8-21(25)13-16-26(27)37-20(3)35/h4-17,30H,1-3H3,(H,31,36)/t30-/m1/s1
InChIKeyHVDFDRWNLYCQMT-SSEXGKCCSA-N
XLogP5.56
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate 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

[2-[(2R)-3-acetyl-2-[4-[(3-nitrobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-bromophenyl] acetate
CID 98222623
[1-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]naphthalen-2-yl] acetate
CID 92712729
[2-[3-acetyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-nitrophenyl] acetate
CID 46352353
N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
CID 92713031
[2-[3-acetyl-5-[4-[(4-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-2-yl]-4-methoxyphenyl] acetate
CID 46352200
[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 22577061
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-(3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl)phenyl]-3-chlorobenzamide
CID 53019682
N-[4-[(2S)-3-acetyl-2-pyridin-2-yl-2H-1,3,4-oxadiazol-5-yl]phenyl]-3-chlorobenzamide
CID 95053024
[2-[(2R)-3-acetyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-2-yl]-4-nitrophenyl] acetate
CID 98222639
[2-[(2S)-3-acetyl-2-[3-[(2-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-chloro-6-nitrophenyl] acetate
CID 98222029
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The IUPAC name of [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate (CID 92713026) is [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate.
What is the SMILES notation for [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The canonical SMILES for [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate is CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2ccc(NC(=O)c3cccc(C)c3)cc2)O1.
What is the InChIKey of [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The InChIKey is HVDFDRWNLYCQMT-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H25N3O5/c1-18-7-6-9-23(17-18)28(36)31-24-14-11-22(12-15-24)30-33(19(2)34)32-29(38-30)27-25-10-5-4-8-21(25)13-16-26(27)37-20(3)35/h4-17,30H,1-3H3,(H,31,36)/t30-/m1/s1.
What are the key properties of [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate has a molecular weight of 507.55 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate is sourced from PubChem (CID 92713026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).