5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile

C18H13N5O — CID 155627753

IUPAC5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile
SMILESN#CN1CCC=C1c1noc(-c2ccnc(-c3ccccc3)c2)n1
InChIInChI=1S/C18H13N5O/c19-12-23-10-4-7-16(23)17-21-18(24-22-17)14-8-9-20-15(11-14)13-5-2-1-3-6-13/h1-3,5-9,11H,4,10H2
InChIKeyOSMHOZDZFWGZLE-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.33
Rot. Bonds3

About 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile

5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile (PubChem CID 155627753) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile.

Molecular Properties

Compound Name5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile
PubChem CID155627753
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile
SMILESN#CN1CCC=C1c1noc(-c2ccnc(-c3ccccc3)c2)n1
InChIInChI=1S/C18H13N5O/c19-12-23-10-4-7-16(23)17-21-18(24-22-17)14-8-9-20-15(11-14)13-5-2-1-3-6-13/h1-3,5-9,11H,4,10H2
InChIKeyOSMHOZDZFWGZLE-UHFFFAOYSA-N
XLogP3.33
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

Pifexole
CID 65758
Azd-9272
CID 9838729
Azd6538
CID 9879103
2-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 650707
VU0285683
CID 9816778
5-(4-Chlorophenyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 2820879
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10198810
NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
7-Phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
5-(3-Nitrophenyl)-3-(2-pyridyl)-1,2,4-oxadiazole
CID 867096

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile?
The IUPAC name of 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile (CID 155627753) is 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile.
What is the SMILES notation for 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile?
The canonical SMILES for 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile is N#CN1CCC=C1c1noc(-c2ccnc(-c3ccccc3)c2)n1.
What is the InChIKey of 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile?
The InChIKey is OSMHOZDZFWGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-12-23-10-4-7-16(23)17-21-18(24-22-17)14-8-9-20-15(11-14)13-5-2-1-3-6-13/h1-3,5-9,11H,4,10H2.
What are the key properties of 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile?
5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile has a molecular weight of 315.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-phenyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydropyrrole-1-carbonitrile is sourced from PubChem (CID 155627753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).