N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C24H29N3O2 — CID 46512546

IUPACN-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC(CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-4-18(20-8-6-5-7-9-20)16-25-22(28)14-15-23-26-24(27-29-23)21-12-10-19(11-13-21)17(2)3/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyHYZWKNLDUAHQIO-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.10
Rot. Bonds9

About N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46512546) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46512546
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCC(CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-4-18(20-8-6-5-7-9-20)16-25-22(28)14-15-23-26-24(27-29-23)21-12-10-19(11-13-21)17(2)3/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28)
InChIKeyHYZWKNLDUAHQIO-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-3-methylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55535788
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 78868669
5-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]pentanoic acid
CID 119234607
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
N-(3-benzylsulfonylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55663640
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46512546) is N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCC(CNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HYZWKNLDUAHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-18(20-8-6-5-7-9-20)16-25-22(28)14-15-23-26-24(27-29-23)21-12-10-19(11-13-21)17(2)3/h5-13,17-18H,4,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46512546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).