3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide

C17H16N4O2 — CID 133482787

IUPAC3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N4O2/c18-15(22)14-8-4-5-12(11-14)9-10-19-17-20-16(23-21-17)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H2,18,22)(H,19,21)
InChIKeyJXTUHFCWHYQGAD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.49
Rot. Bonds6

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

3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide (PubChem CID 133482787) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide
PubChem CID133482787
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNc2noc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N4O2/c18-15(22)14-8-4-5-12(11-14)9-10-19-17-20-16(23-21-17)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H2,18,22)(H,19,21)
InChIKeyJXTUHFCWHYQGAD-UHFFFAOYSA-N
XLogP2.49
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenol
CID 133482297
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
3-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethyl]benzoic acid
CID 114786014
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]benzamide
CID 44560999
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133482511
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
3-benzylbenzamide;hydrochloride
CID 159409318

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide?
The IUPAC name of 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide (CID 133482787) is 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide?
The canonical SMILES for 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide is NC(=O)c1cccc(CCNc2noc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide?
The InChIKey is JXTUHFCWHYQGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-15(22)14-8-4-5-12(11-14)9-10-19-17-20-16(23-21-17)13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H2,18,22)(H,19,21).
What are the key properties of 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide?
3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133482787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).