[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate

C16H15N3O5 — CID 9065749

IUPAC[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESO=C(C[C@@H]1C=CCC1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C16H15N3O5/c20-15(9-11-3-1-2-4-11)23-10-14-17-18-16(24-14)12-5-7-13(8-6-12)19(21)22/h1,3,5-8,11H,2,4,9-10H2/t11-/m1/s1
InChIKeyFZVBSYVEIBOFHS-LLVKDONJSA-N
MW329.31 g/mol
LogP3.04
Rot. Bonds6

About [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate

[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate (PubChem CID 9065749) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate
PubChem CID9065749
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate
SMILESO=C(C[C@@H]1C=CCC1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C16H15N3O5/c20-15(9-11-3-1-2-4-11)23-10-14-17-18-16(24-14)12-5-7-13(8-6-12)19(21)22/h1,3,5-8,11H,2,4,9-10H2/t11-/m1/s1
InChIKeyFZVBSYVEIBOFHS-LLVKDONJSA-N
XLogP3.04
TPSA108.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-nitrophenoxy)acetate
CID 7769865
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-formylbenzoate
CID 7669153
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2,6-dimethylphenoxy)acetate
CID 8527861
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(1H-indol-3-yl)acetate
CID 7663974
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-tert-butylphenoxy)acetate
CID 9327949
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-2-carboxylate
CID 7980561
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922257
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(4-methoxyphenoxy)butanoate
CID 7146997
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-phenylprop-2-enoate
CID 7860648
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772263
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 35779425
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylbenzoate
CID 7968214

Frequently Asked Questions

What is the IUPAC name of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate (CID 9065749) is [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate is O=C(C[C@@H]1C=CCC1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate?
The InChIKey is FZVBSYVEIBOFHS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-15(9-11-3-1-2-4-11)23-10-14-17-18-16(24-14)12-5-7-13(8-6-12)19(21)22/h1,3,5-8,11H,2,4,9-10H2/t11-/m1/s1.
What are the key properties of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate?
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate has a molecular weight of 329.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(1R)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9065749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).