N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C22H25N3O2 — CID 46447071

IUPACN-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)C(CNC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16(2)19(17-9-5-3-6-10-17)15-23-20(26)13-14-21-24-25-22(27-21)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26)
InChIKeyHTJWBKJKHAOTRF-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.23
Rot. Bonds8

About N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 46447071) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID46447071
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)C(CNC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16(2)19(17-9-5-3-6-10-17)15-23-20(26)13-14-21-24-25-22(27-21)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26)
InChIKeyHTJWBKJKHAOTRF-UHFFFAOYSA-N
XLogP4.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30527770
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24544215
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55686853
N-(2-methylpropyl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 34731870
N,N-dimethyl-3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46401361
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 46447071) is N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)C(CNC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is HTJWBKJKHAOTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(2)19(17-9-5-3-6-10-17)15-23-20(26)13-14-21-24-25-22(27-21)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 46447071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).