3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile

C12H12N4O2 — CID 106524813

IUPAC3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCc1ccnc(-c2noc(CC(O)CC#N)n2)c1
InChIInChI=1S/C12H12N4O2/c1-8-3-5-14-10(6-8)12-15-11(18-16-12)7-9(17)2-4-13/h3,5-6,9,17H,2,7H2,1H3
InChIKeySEIOCBCPKUVRAX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.26
Rot. Bonds4

About 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile

3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile (PubChem CID 106524813) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile.

Molecular Properties

Compound Name3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
PubChem CID106524813
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCc1ccnc(-c2noc(CC(O)CC#N)n2)c1
InChIInChI=1S/C12H12N4O2/c1-8-3-5-14-10(6-8)12-15-11(18-16-12)7-9(17)2-4-13/h3,5-6,9,17H,2,7H2,1H3
InChIKeySEIOCBCPKUVRAX-UHFFFAOYSA-N
XLogP1.26
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526548
1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886
3-hydroxy-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527932
3-hydroxy-4-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 136770725
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63840632
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63840491
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106523914
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
3-hydroxy-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 136771001
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 107283094

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The IUPAC name of 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile (CID 106524813) is 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile.
What is the SMILES notation for 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The canonical SMILES for 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile is Cc1ccnc(-c2noc(CC(O)CC#N)n2)c1.
What is the InChIKey of 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The InChIKey is SEIOCBCPKUVRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-3-5-14-10(6-8)12-15-11(18-16-12)7-9(17)2-4-13/h3,5-6,9,17H,2,7H2,1H3.
What are the key properties of 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile?
3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile has a molecular weight of 244.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile is sourced from PubChem (CID 106524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).