5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one

C9H7ClN2O3 — CID 57060978

IUPAC5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(Cl)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C9H7ClN2O3/c1-14-7-3-2-5(10)4-6(7)8-11-12-9(13)15-8/h2-4H,1H3,(H,12,13)
InChIKeyCZOXDGPQVTXPDU-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.69
Rot. Bonds2

About 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one

5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (PubChem CID 57060978) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
PubChem CID57060978
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(Cl)cc1-c1n[nH]c(=O)o1
InChIInChI=1S/C9H7ClN2O3/c1-14-7-3-2-5(10)4-6(7)8-11-12-9(13)15-8/h2-4H,1H3,(H,12,13)
InChIKeyCZOXDGPQVTXPDU-UHFFFAOYSA-N
XLogP1.69
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one (CID 57060978) is 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is COc1ccc(Cl)cc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
The InChIKey is CZOXDGPQVTXPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c1-14-7-3-2-5(10)4-6(7)8-11-12-9(13)15-8/h2-4H,1H3,(H,12,13).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one?
5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one has a molecular weight of 226.62 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 57060978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).