N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide

C14H16ClN3O2 — CID 4896328

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H16ClN3O2/c1-9(2)14(19)16-8-7-12-17-13(18-20-12)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyBJLBJKTVXKKYSS-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide (PubChem CID 4896328) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide
PubChem CID4896328
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H16ClN3O2/c1-9(2)14(19)16-8-7-12-17-13(18-20-12)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyBJLBJKTVXKKYSS-UHFFFAOYSA-N
XLogP2.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide (CID 4896328) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide?
The InChIKey is BJLBJKTVXKKYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(2)14(19)16-8-7-12-17-13(18-20-12)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 4896328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).