N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C17H15N3O2 — CID 1231059

IUPACN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C17H15N3O2/c1-11-6-8-13(9-7-11)16-19-20-17(22-16)14-4-3-5-15(10-14)18-12(2)21/h3-10H,1-2H3,(H,18,21)
InChIKeyPVSHWWYJTIESGI-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.67
Rot. Bonds3

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

N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 1231059) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID1231059
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1
InChIInChI=1S/C17H15N3O2/c1-11-6-8-13(9-7-11)16-19-20-17(22-16)14-4-3-5-15(10-14)18-12(2)21/h3-10H,1-2H3,(H,18,21)
InChIKeyPVSHWWYJTIESGI-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 1231059) is N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is PVSHWWYJTIESGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-6-8-13(9-7-11)16-19-20-17(22-16)14-4-3-5-15(10-14)18-12(2)21/h3-10H,1-2H3,(H,18,21).
What are the key properties of N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 1231059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).