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

C18H16BrN3O2 — CID 110421688

IUPACN-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)Nc2ccc(Br)cc2)c2ccccc2)o1
InChIInChI=1S/C18H16BrN3O2/c1-12-21-22-18(24-12)16(13-5-3-2-4-6-13)11-17(23)20-15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,23)
InChIKeyIVZVVHNQXHQNMR-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.30
Rot. Bonds5

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

N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110421688) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110421688
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCc1nnc(C(CC(=O)Nc2ccc(Br)cc2)c2ccccc2)o1
InChIInChI=1S/C18H16BrN3O2/c1-12-21-22-18(24-12)16(13-5-3-2-4-6-13)11-17(23)20-15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,23)
InChIKeyIVZVVHNQXHQNMR-UHFFFAOYSA-N
XLogP4.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424323
N-(3,4-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428980
N-(3,5-dichlorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110427670
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
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426241
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
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 110414952
N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428231
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-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 110627823

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110421688) is N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is Cc1nnc(C(CC(=O)Nc2ccc(Br)cc2)c2ccccc2)o1.
What is the InChIKey of N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is IVZVVHNQXHQNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-21-22-18(24-12)16(13-5-3-2-4-6-13)11-17(23)20-15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,23).
What are the key properties of N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 386.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110421688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).