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

C18H17N3O2 — CID 83288843

IUPACN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1ccc(-c2noc(CCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-7-9-14(10-8-13)17-20-16(23-21-17)11-12-19-18(22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyGLOYYRLMTZYSRQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.02
Rot. Bonds5

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

N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 83288843) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID83288843
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1ccc(-c2noc(CCNC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-7-9-14(10-8-13)17-20-16(23-21-17)11-12-19-18(22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyGLOYYRLMTZYSRQ-UHFFFAOYSA-N
XLogP3.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.02
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-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 83288843) is N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1ccc(-c2noc(CCNC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is GLOYYRLMTZYSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-7-9-14(10-8-13)17-20-16(23-21-17)11-12-19-18(22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.02, 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-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 83288843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).