1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone

C17H15N3O4 — CID 92707064

IUPAC1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccccc1
InChIInChI=1S/C17H15N3O4/c1-12(21)19-17(2,14-8-4-3-5-9-14)24-16(18-19)13-7-6-10-15(11-13)20(22)23/h3-11H,1-2H3/t17-/m1/s1
InChIKeyLRLOIRARBULJTD-QGZVFWFLSA-N
MW325.32 g/mol
LogP3.01
Rot. Bonds3

About 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone

1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 92707064) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID92707064
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccccc1
InChIInChI=1S/C17H15N3O4/c1-12(21)19-17(2,14-8-4-3-5-9-14)24-16(18-19)13-7-6-10-15(11-13)20(22)23/h3-11H,1-2H3/t17-/m1/s1
InChIKeyLRLOIRARBULJTD-QGZVFWFLSA-N
XLogP3.01
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]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

[4-[(2S)-3-acetyl-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 7348298
1-(2-methyl-2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl)ethanone
CID 5270582
1-[5-(4-fluorophenyl)-2-methyl-2-(4-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
CID 53052650
1-[2-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3,4-oxadiazol-3-yl]ethanone
CID 5299787
1-[(2S)-5-(4-chlorophenyl)-2-methyl-2-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone
CID 92712557
N-[2-[4-acetyl-5-methyl-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
CID 46284906
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-[(2S)-5-(3-nitrophenyl)-2-[5-(3-nitrophenyl)furan-2-yl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063785
1-[(3S)-5-(3-nitrophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 704630
1-[(2R)-2-(2-chloro-5-nitrophenyl)-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063794
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-[(2S)-2-(2,4-dichlorophenyl)-5-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 1203227

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone (CID 92707064) is 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is LRLOIRARBULJTD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-12(21)19-17(2,14-8-4-3-5-9-14)24-16(18-19)13-7-6-10-15(11-13)20(22)23/h3-11H,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone?
1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 325.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-5-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 92707064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).