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

C14H17N3O2 — CID 3159509

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-2-10-15-12(18)8-9-13-16-14(17-19-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,18)
InChIKeyPXYTYWVQOWDNES-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.20
Rot. Bonds6

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide (PubChem CID 3159509) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
PubChem CID3159509
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-2-10-15-12(18)8-9-13-16-14(17-19-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,18)
InChIKeyPXYTYWVQOWDNES-UHFFFAOYSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 17101446
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[2-oxo-2-(propylamino)ethyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35354145
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-butylpropanamide
CID 99722466

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide (CID 3159509) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide is CCCNC(=O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide?
The InChIKey is PXYTYWVQOWDNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-10-15-12(18)8-9-13-16-14(17-19-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,18).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide is sourced from PubChem (CID 3159509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).