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

C17H13Cl2N3O3 — CID 44571280

IUPACN-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C17H13Cl2N3O3/c1-10(23)20-17-22-21-16(25-17)12-5-6-15(14(19)8-12)24-9-11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyYCFFXCXKAQKXBN-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.58
Rot. Bonds5

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

N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 44571280) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID44571280
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC NameN-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1
InChIInChI=1S/C17H13Cl2N3O3/c1-10(23)20-17-22-21-16(25-17)12-5-6-15(14(19)8-12)24-9-11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyYCFFXCXKAQKXBN-UHFFFAOYSA-N
XLogP4.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 44571280) is N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(=O)Nc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1.
What is the InChIKey of N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is YCFFXCXKAQKXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-10(23)20-17-22-21-16(25-17)12-5-6-15(14(19)8-12)24-9-11-3-2-4-13(18)7-11/h2-8H,9H2,1H3,(H,20,22,23).
What are the key properties of N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 378.22 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 44571280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).