5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile

C15H13N5O — CID 104677263

IUPAC5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
SMILESCCc1cnccc1-c1noc(-c2cc(C#N)cn2C)n1
InChIInChI=1S/C15H13N5O/c1-3-11-8-17-5-4-12(11)14-18-15(21-19-14)13-6-10(7-16)9-20(13)2/h4-6,8-9H,3H2,1-2H3
InChIKeyXQKOSUIQORKIOB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.57
Rot. Bonds3

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

5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile (PubChem CID 104677263) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
PubChem CID104677263
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
SMILESCCc1cnccc1-c1noc(-c2cc(C#N)cn2C)n1
InChIInChI=1S/C15H13N5O/c1-3-11-8-17-5-4-12(11)14-18-15(21-19-14)13-6-10(7-16)9-20(13)2/h4-6,8-9H,3H2,1-2H3
InChIKeyXQKOSUIQORKIOB-UHFFFAOYSA-N
XLogP2.57
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile (CID 104677263) is 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile is CCc1cnccc1-c1noc(-c2cc(C#N)cn2C)n1.
What is the InChIKey of 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
The InChIKey is XQKOSUIQORKIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-3-11-8-17-5-4-12(11)14-18-15(21-19-14)13-6-10(7-16)9-20(13)2/h4-6,8-9H,3H2,1-2H3.
What are the key properties of 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile?
5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 104677263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).