N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide

C23H17Cl2N3O3 — CID 5297605

IUPACN-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C23H17Cl2N3O3/c1-14(30-16-7-3-2-4-8-16)21(29)26-20-10-6-5-9-17(20)23-28-27-22(31-23)15-11-12-18(24)19(25)13-15/h2-14H,1H3,(H,26,29)
InChIKeyNXYUYMYIQIECNJ-UHFFFAOYSA-N
MW454.31 g/mol
LogP6.12
Rot. Bonds6

About N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide

N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide (PubChem CID 5297605) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide
PubChem CID5297605
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC NameN-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C23H17Cl2N3O3/c1-14(30-16-7-3-2-4-8-16)21(29)26-20-10-6-5-9-17(20)23-28-27-22(31-23)15-11-12-18(24)19(25)13-15/h2-14H,1H3,(H,26,29)
InChIKeyNXYUYMYIQIECNJ-UHFFFAOYSA-N
XLogP6.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 5297544
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
N-(2-methylphenyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 20943882
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
(2R)-2-(3,5-dichlorophenoxy)-N-(2-phenylphenyl)propanamide
CID 7467157
2-(4-methoxyphenoxy)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 17171857
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxypropanamide
CID 90603123

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide (CID 5297605) is N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide?
The InChIKey is NXYUYMYIQIECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c1-14(30-16-7-3-2-4-8-16)21(29)26-20-10-6-5-9-17(20)23-28-27-22(31-23)15-11-12-18(24)19(25)13-15/h2-14H,1H3,(H,26,29).
What are the key properties of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide?
N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide has a molecular weight of 454.31 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 5297605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).