5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

C15H10ClN3O4 — CID 936656

IUPAC5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C15H10ClN3O4/c1-22-13-6-5-10(16)8-12(13)15-17-14(18-23-15)9-3-2-4-11(7-9)19(20)21/h2-8H,1H3
InChIKeyCXUWMRURJVXZFV-UHFFFAOYSA-N
MW331.72 g/mol
LogP3.97
Rot. Bonds4

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

5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole (PubChem CID 936656) has the molecular formula C15H10ClN3O4 and a molecular weight of 331.72 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
PubChem CID936656
Molecular FormulaC15H10ClN3O4
Molecular Weight331.72 g/mol
Exact Mass331.04
IUPAC Name5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C15H10ClN3O4/c1-22-13-6-5-10(16)8-12(13)15-17-14(18-23-15)9-3-2-4-11(7-9)19(20)21/h2-8H,1H3
InChIKeyCXUWMRURJVXZFV-UHFFFAOYSA-N
XLogP3.97
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083762
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
5-(4-methylphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 877489
5-(2-methylfuran-3-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 8895133
3-[3-[(2-methoxyphenyl)methoxy]phenyl]-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 83285487
5-(5-chloro-2-phenylmethoxyphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8813218
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
5-(furan-2-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 699740
3-(5-chloro-2-methoxyphenyl)-5-[3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1,2,4-oxadiazole
CID 19332577
3-(3-bromophenyl)-5-(4-chloro-2-nitrophenyl)-1,2,4-oxadiazole
CID 8895447
5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 46739367
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole (CID 936656) is 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
The InChIKey is CXUWMRURJVXZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4/c1-22-13-6-5-10(16)8-12(13)15-17-14(18-23-15)9-3-2-4-11(7-9)19(20)21/h2-8H,1H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole?
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole has a molecular weight of 331.72 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 936656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).