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

C26H21N3O4 — CID 92751951

IUPAC[1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2cc(C)nc3ccccc23)O1
InChIInChI=1S/C26H21N3O4/c1-15-14-21(20-10-6-7-11-22(20)27-15)26-29(16(2)30)28-25(33-26)24-19-9-5-4-8-18(19)12-13-23(24)32-17(3)31/h4-14,26H,1-3H3/t26-/m1/s1
InChIKeyXYSRIHCSYDOELV-AREMUKBSSA-N
MW439.47 g/mol
LogP4.86
Rot. Bonds3

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

[1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate (PubChem CID 92751951) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
PubChem CID92751951
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name[1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
SMILESCC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2cc(C)nc3ccccc23)O1
InChIInChI=1S/C26H21N3O4/c1-15-14-21(20-10-6-7-11-22(20)27-15)26-29(16(2)30)28-25(33-26)24-19-9-5-4-8-18(19)12-13-23(24)32-17(3)31/h4-14,26H,1-3H3/t26-/m1/s1
InChIKeyXYSRIHCSYDOELV-AREMUKBSSA-N
XLogP4.86
TPSA81.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[1-[3-acetyl-2-(2,5-dimethylfuran-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 22577284
[1-[(2S)-3-acetyl-2-(2-chlorophenyl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 92712995
[2-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]-6-methoxy-4-nitrophenyl] acetate
CID 98334712
[1-[(2R)-3-acetyl-2-[4-[(3-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 92713026
[1-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]naphthalen-2-yl] acetate
CID 92712729
1-[2-(2-phenylquinolin-4-yl)-5-(2,3,4-trimethoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22577280
[4-[(2S)-3-acetyl-5-(2-phenylquinolin-4-yl)-2H-1,3,4-oxadiazol-2-yl]-2-methoxyphenyl] acetate
CID 92751883
[2-[(2R)-3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 850776
[3-[3-acetyl-5-(2-hydroxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-2-acetyloxyphenyl] acetate
CID 135624448
[2-(3-acetyl-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-5-yl)-6-methoxy-4-nitrophenyl] acetate
CID 46352321
1-[(2R)-5-(3-bromophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92707049
[2-[(2S)-3-acetyl-5-(2,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 95074448

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The IUPAC name of [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate (CID 92751951) is [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate.
What is the SMILES notation for [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The canonical SMILES for [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate is CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2cc(C)nc3ccccc23)O1.
What is the InChIKey of [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The InChIKey is XYSRIHCSYDOELV-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21N3O4/c1-15-14-21(20-10-6-7-11-22(20)27-15)26-29(16(2)30)28-25(33-26)24-19-9-5-4-8-18(19)12-13-23(24)32-17(3)31/h4-14,26H,1-3H3/t26-/m1/s1.
What are the key properties of [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
[1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate has a molecular weight of 439.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate is sourced from PubChem (CID 92751951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).