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

C10H8ClN3O3 — CID 23010472

IUPAC5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H8ClN3O3/c1-2-9-12-10(17-13-9)6-3-4-7(11)8(5-6)14(15)16/h3-5H,2H2,1H3
InChIKeyMRMPODFCUQZFQW-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.86
Rot. Bonds3

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

5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 23010472) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID23010472
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H8ClN3O3/c1-2-9-12-10(17-13-9)6-3-4-7(11)8(5-6)14(15)16/h3-5H,2H2,1H3
InChIKeyMRMPODFCUQZFQW-UHFFFAOYSA-N
XLogP2.86
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.86
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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethyl-2-nitroaniline
CID 46265020
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-nitro-N-(2-phenylethyl)aniline
CID 46265022
3-(5-bromofuran-2-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
CID 4916153
3-(1,3-benzodioxol-5-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
CID 5301187
4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
CID 54924496
5-(4-chloro-3-nitrophenyl)-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 23008260
5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3-propyl-1,2,4-oxadiazole
CID 46265033
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
3-(2,4-dichlorophenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
CID 19326503
5-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-propyl-1,2,4-oxadiazole
CID 46265048
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole (CID 23010472) is 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is MRMPODFCUQZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-2-9-12-10(17-13-9)6-3-4-7(11)8(5-6)14(15)16/h3-5H,2H2,1H3.
What are the key properties of 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole?
5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 253.65 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 23010472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).