N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide

C17H12Cl2FN3O2 — CID 110334102

IUPACN-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2FN3O2/c18-11-7-12(19)9-14(8-11)21-15(24)5-6-16-22-23-17(25-16)10-1-3-13(20)4-2-10/h1-4,7-9H,5-6H2,(H,21,24)
InChIKeyMYSRGADBFAQONR-UHFFFAOYSA-N
MW380.21 g/mol
LogP4.75
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334102) has the molecular formula C17H12Cl2FN3O2 and a molecular weight of 380.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334102
Molecular FormulaC17H12Cl2FN3O2
Molecular Weight380.21 g/mol
Exact Mass379.03
IUPAC NameN-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2FN3O2/c18-11-7-12(19)9-14(8-11)21-15(24)5-6-16-22-23-17(25-16)10-1-3-13(20)4-2-10/h1-4,7-9H,5-6H2,(H,21,24)
InChIKeyMYSRGADBFAQONR-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-fluorophenyl)propanamide
CID 110334681
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N-(2-cyanophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334108
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370
N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334072

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334102) is N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is MYSRGADBFAQONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2/c18-11-7-12(19)9-14(8-11)21-15(24)5-6-16-22-23-17(25-16)10-1-3-13(20)4-2-10/h1-4,7-9H,5-6H2,(H,21,24).
What are the key properties of N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 380.21 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).