N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

C20H21N3O2 — CID 17101225

IUPACN-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)NCCc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-18(21-15-14-16-8-3-1-4-9-16)12-7-13-19-22-20(23-25-19)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,21,24)
InChIKeyFMHFYDOYVXNXRE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.42
Rot. Bonds8

About N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 17101225) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID17101225
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)NCCc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-18(21-15-14-16-8-3-1-4-9-16)12-7-13-19-22-20(23-25-19)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,21,24)
InChIKeyFMHFYDOYVXNXRE-UHFFFAOYSA-N
XLogP3.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83289198
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]butanamide
CID 91813375
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110324148
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454749

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (CID 17101225) is N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is O=C(CCCc1nc(-c2ccccc2)no1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is FMHFYDOYVXNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18(21-15-14-16-8-3-1-4-9-16)12-7-13-19-22-20(23-25-19)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,21,24).
What are the key properties of N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 335.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 17101225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).