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

C14H11N5O — CID 136701103

IUPAC4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
SMILESCCc1cccnc1-c1noc(-c2c[nH]c(C#N)c2)n1
InChIInChI=1S/C14H11N5O/c1-2-9-4-3-5-16-12(9)13-18-14(20-19-13)10-6-11(7-15)17-8-10/h3-6,8,17H,2H2,1H3
InChIKeyLVBPKQHDMGWNRH-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.56
Rot. Bonds3

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

4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile (PubChem CID 136701103) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
PubChem CID136701103
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
SMILESCCc1cccnc1-c1noc(-c2c[nH]c(C#N)c2)n1
InChIInChI=1S/C14H11N5O/c1-2-9-4-3-5-16-12(9)13-18-14(20-19-13)10-6-11(7-15)17-8-10/h3-6,8,17H,2H2,1H3
InChIKeyLVBPKQHDMGWNRH-UHFFFAOYSA-N
XLogP2.56
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908045
2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938518
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782415
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782462
4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770953
4-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782438
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136782420
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
CID 82732102
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700997

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile (CID 136701103) is 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile is CCc1cccnc1-c1noc(-c2c[nH]c(C#N)c2)n1.
What is the InChIKey of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile?
The InChIKey is LVBPKQHDMGWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-2-9-4-3-5-16-12(9)13-18-14(20-19-13)10-6-11(7-15)17-8-10/h3-6,8,17H,2H2,1H3.
What are the key properties of 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile?
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 136701103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).