N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide

C17H14ClN3O3 — CID 2595313

IUPACN-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H14ClN3O3/c1-11(22)19-14-4-2-3-5-15(14)23-10-16-20-21-17(24-16)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyZJONHJDEKZZBKA-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.93
Rot. Bonds5

About N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide

N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide (PubChem CID 2595313) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
PubChem CID2595313
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H14ClN3O3/c1-11(22)19-14-4-2-3-5-15(14)23-10-16-20-21-17(24-16)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyZJONHJDEKZZBKA-UHFFFAOYSA-N
XLogP3.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide (CID 2595313) is N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
The InChIKey is ZJONHJDEKZZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-11(22)19-14-4-2-3-5-15(14)23-10-16-20-21-17(24-16)12-6-8-13(18)9-7-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide?
N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide has a molecular weight of 343.77 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 2595313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).