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

C14H8ClN3O3 — CID 2806323

IUPAC2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C14H8ClN3O3/c15-11-5-1-3-9(7-11)13-16-17-14(21-13)10-4-2-6-12(8-10)18(19)20/h1-8H
InChIKeyQENDOSJKUCQXRO-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.97
Rot. Bonds3

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

2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (PubChem CID 2806323) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
PubChem CID2806323
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SMILESO=[N+]([O-])c1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C14H8ClN3O3/c15-11-5-1-3-9(7-11)13-16-17-14(21-13)10-4-2-6-12(8-10)18(19)20/h1-8H
InChIKeyQENDOSJKUCQXRO-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-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2-(3-chlorophenyl)-5-[5-methyl-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]-1,3,4-oxadiazole
CID 24789316
2-(3-chlorophenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 9382570
2-[(4-chlorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 808887
2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 114770919
2-(4-methoxy-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 17171729
N'-[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 18287612
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
2-(3-nitrophenyl)-5-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 166436144
N-(2,4-dichlorophenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 56731773

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (CID 2806323) is 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The InChIKey is QENDOSJKUCQXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-11-5-1-3-9(7-11)13-16-17-14(21-13)10-4-2-6-12(8-10)18(19)20/h1-8H.
What are the key properties of 2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
2-(3-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-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2806323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).