N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C14H17N3O2 — CID 3826565

IUPACN-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C14H17N3O2/c1-3-15-12(18)8-9-13-16-14(17-19-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyFTPAHYXDWQHYNW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds5

About N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3826565) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3826565
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C14H17N3O2/c1-3-15-12(18)8-9-13-16-14(17-19-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyFTPAHYXDWQHYNW-UHFFFAOYSA-N
XLogP2.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3826565) is N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCNC(=O)CCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FTPAHYXDWQHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-12(18)8-9-13-16-14(17-19-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3826565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).