[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate

C30H25N3O4 — CID 22577061

IUPAC[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
SMILESCCn1c2ccccc2c2cc(C3OC(c4cc5ccccc5cc4OC(C)=O)=NN3C(C)=O)ccc21
InChIInChI=1S/C30H25N3O4/c1-4-32-26-12-8-7-11-23(26)24-16-22(13-14-27(24)32)30-33(18(2)34)31-29(37-30)25-15-20-9-5-6-10-21(20)17-28(25)36-19(3)35/h5-17,30H,4H2,1-3H3
InChIKeyKMOPZHGRACOVCP-UHFFFAOYSA-N
MW491.55 g/mol
LogP6.13
Rot. Bonds4

About [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate

[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate (PubChem CID 22577061) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
PubChem CID22577061
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
SMILESCCn1c2ccccc2c2cc(C3OC(c4cc5ccccc5cc4OC(C)=O)=NN3C(C)=O)ccc21
InChIInChI=1S/C30H25N3O4/c1-4-32-26-12-8-7-11-23(26)24-16-22(13-14-27(24)32)30-33(18(2)34)31-29(37-30)25-15-20-9-5-6-10-21(20)17-28(25)36-19(3)35/h5-17,30H,4H2,1-3H3
InChIKeyKMOPZHGRACOVCP-UHFFFAOYSA-N
XLogP6.13
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[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-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]-4-chlorophenyl] acetate
CID 95053147
[2-(3-acetyl-2-phenyl-2H-1,3,4-oxadiazol-5-yl)-4-nitrophenyl] acetate
CID 46352223
[1-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]naphthalen-2-yl] acetate
CID 92712729
[4-[(2S)-3-acetyl-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-5-yl]-3-acetyloxyphenyl] acetate
CID 92712728
1-[(2R)-2-naphthalen-2-yl-5-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 92712559
1-[(2S)-2-(3-phenoxyphenyl)-5-(2-phenylquinolin-4-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063921
[1-[(2R)-3-acetyl-2-(2-methylquinolin-4-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate
CID 92751951
[4-[(2S)-3-acetyl-5-(2-phenylquinolin-4-yl)-2H-1,3,4-oxadiazol-2-yl]-2-bromo-6-methoxyphenyl] acetate
CID 98334473
1-[3-(3-acetyl-5-naphthalen-1-yl-2H-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 11839849
[2-(3-acetyl-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-5-yl)-6-methoxy-4-nitrophenyl] acetate
CID 46352321
[2-[(2S)-3-acetyl-5-(2-iodophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 95074432

Frequently Asked Questions

What is the IUPAC name of [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The IUPAC name of [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate (CID 22577061) is [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate.
What is the SMILES notation for [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The canonical SMILES for [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate is CCn1c2ccccc2c2cc(C3OC(c4cc5ccccc5cc4OC(C)=O)=NN3C(C)=O)ccc21.
What is the InChIKey of [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
The InChIKey is KMOPZHGRACOVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-4-32-26-12-8-7-11-23(26)24-16-22(13-14-27(24)32)30-33(18(2)34)31-29(37-30)25-15-20-9-5-6-10-21(20)17-28(25)36-19(3)35/h5-17,30H,4H2,1-3H3.
What are the key properties of [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate?
[3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate has a molecular weight of 491.55 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-acetyl-2-(9-ethylcarbazol-3-yl)-2H-1,3,4-oxadiazol-5-yl]naphthalen-2-yl] acetate is sourced from PubChem (CID 22577061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).