N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

C18H15F2N3O2 — CID 110428980

IUPACN-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)o1
InChIInChI=1S/C18H15F2N3O2/c1-11-22-23-18(25-11)14(12-5-3-2-4-6-12)10-17(24)21-13-7-8-15(19)16(20)9-13/h2-9,14H,10H2,1H3,(H,21,24)
InChIKeyAEOTTZHEUJQZAJ-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.82
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110428980) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110428980
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)o1
InChIInChI=1S/C18H15F2N3O2/c1-11-22-23-18(25-11)14(12-5-3-2-4-6-12)10-17(24)21-13-7-8-15(19)16(20)9-13/h2-9,14H,10H2,1H3,(H,21,24)
InChIKeyAEOTTZHEUJQZAJ-UHFFFAOYSA-N
XLogP3.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
methyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424323
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426241
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
N-(2-ethoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110422172
N-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415634
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylbutyl)propanamide
CID 110607473
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
methyl 4-chloro-3-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424464
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 110414952

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110428980) is N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is Cc1nnc(C(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc2)o1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is AEOTTZHEUJQZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-11-22-23-18(25-11)14(12-5-3-2-4-6-12)10-17(24)21-13-7-8-15(19)16(20)9-13/h2-9,14H,10H2,1H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 343.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110428980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).