5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one

C15H11ClN2O3 — CID 18456869

IUPAC5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)c(Oc3ccccc3)c2)o1
InChIInChI=1S/C15H11ClN2O3/c16-12-7-6-10(9-14-17-18-15(19)21-14)8-13(12)20-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)
InChIKeyWNEJYQLUYFVDMN-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.40
Rot. Bonds4

About 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one

5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 18456869) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID18456869
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)c(Oc3ccccc3)c2)o1
InChIInChI=1S/C15H11ClN2O3/c16-12-7-6-10(9-14-17-18-15(19)21-14)8-13(12)20-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)
InChIKeyWNEJYQLUYFVDMN-UHFFFAOYSA-N
XLogP3.40
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one (CID 18456869) is 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(Cc2ccc(Cl)c(Oc3ccccc3)c2)o1.
What is the InChIKey of 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is WNEJYQLUYFVDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-7-6-10(9-14-17-18-15(19)21-14)8-13(12)20-11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19).
What are the key properties of 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one?
5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 302.72 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-phenoxyphenyl)methyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18456869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).