2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

C14H8ClN3O3 — CID 781502

IUPAC2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C14H8ClN3O3/c15-12-7-2-1-6-11(12)14-17-16-13(21-14)9-4-3-5-10(8-9)18(19)20/h1-8H
InChIKeyWEZRMEMSZUYWCE-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 781502) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
PubChem CID781502
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C14H8ClN3O3/c15-12-7-2-1-6-11(12)14-17-16-13(21-14)9-4-3-5-10(8-9)18(19)20/h1-8H
InChIKeyWEZRMEMSZUYWCE-UHFFFAOYSA-N
XLogP3.97
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.97
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'}

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Related Compounds

2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 17171729
2-[(4-chlorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 808887
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 24684675
2-[5-(3-iodo-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 1259930
2-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
CID 9344875
5-(2-chloro-4-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 71563503
2-(2-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 781493
2-(3-nitrophenyl)-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 166436144

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (CID 781502) is 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is WEZRMEMSZUYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-12-7-2-1-6-11(12)14-17-16-13(21-14)9-4-3-5-10(8-9)18(19)20/h1-8H.
What are the key properties of 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole has a molecular weight of 301.69 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 781502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).