3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

C16H14N6O3 — CID 16764583

IUPAC3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(-c2ccccc2)no1)c1cnccn1
InChIInChI=1S/C16H14N6O3/c23-14(12-10-17-6-7-18-12)19-8-9-20-15(24)16-21-13(22-25-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,23)(H,20,24)
InChIKeyULDGKUQLPKKFEM-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.69
Rot. Bonds6

About 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide

3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16764583) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID16764583
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1nc(-c2ccccc2)no1)c1cnccn1
InChIInChI=1S/C16H14N6O3/c23-14(12-10-17-6-7-18-12)19-8-9-20-15(24)16-21-13(22-25-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,23)(H,20,24)
InChIKeyULDGKUQLPKKFEM-UHFFFAOYSA-N
XLogP0.69
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 11372206
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083164
N-[2-[(2-naphthalen-2-yloxyacetyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083198
N-[2-[[2-(4-bromophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083178
N-[2-[[2-(3-chlorophenoxy)acetyl]amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083186
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 16764583) is 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCNC(=O)c1nc(-c2ccccc2)no1)c1cnccn1.
What is the InChIKey of 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ULDGKUQLPKKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c23-14(12-10-17-6-7-18-12)19-8-9-20-15(24)16-21-13(22-25-16)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,23)(H,20,24).
What are the key properties of 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16764583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).