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

C14H17N3O2 — CID 4976390

IUPAC2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-10(2)14(18)15-9-8-12-16-13(17-19-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyCXXDJOZINDJYTP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.05
Rot. Bonds5

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

2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 4976390) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID4976390
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H17N3O2/c1-10(2)14(18)15-9-8-12-16-13(17-19-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyCXXDJOZINDJYTP-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 4976390) is 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C)C(=O)NCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is CXXDJOZINDJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)14(18)15-9-8-12-16-13(17-19-12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 4976390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).