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

C10H8ClN3O4 — CID 4914570

IUPAC3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1
InChIInChI=1S/C10H8ClN3O4/c1-17-5-9-12-10(13-18-9)6-2-3-7(11)8(4-6)14(15)16/h2-4H,5H2,1H3
InChIKeySYZWNFJZTROYME-UHFFFAOYSA-N
MW269.64 g/mol
LogP2.44
Rot. Bonds4

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

3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 4914570) has the molecular formula C10H8ClN3O4 and a molecular weight of 269.64 g/mol. Its IUPAC name is 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID4914570
Molecular FormulaC10H8ClN3O4
Molecular Weight269.64 g/mol
Exact Mass269.02
IUPAC Name3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1
InChIInChI=1S/C10H8ClN3O4/c1-17-5-9-12-10(13-18-9)6-2-3-7(11)8(4-6)14(15)16/h2-4H,5H2,1H3
InChIKeySYZWNFJZTROYME-UHFFFAOYSA-N
XLogP2.44
TPSA91.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.64
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole (CID 4914570) is 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole is COCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)no1.
What is the InChIKey of 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is SYZWNFJZTROYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4/c1-17-5-9-12-10(13-18-9)6-2-3-7(11)8(4-6)14(15)16/h2-4H,5H2,1H3.
What are the key properties of 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 269.64 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-nitrophenyl)-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4914570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).