3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile

C14H15ClN4O — CID 106526197

IUPAC3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
SMILESCCC(C)(CC#N)Cc1nc(-c2ccc(Cl)cn2)no1
InChIInChI=1S/C14H15ClN4O/c1-3-14(2,6-7-16)8-12-18-13(19-20-12)11-5-4-10(15)9-17-11/h4-5,9H,3,6,8H2,1-2H3
InChIKeyLMDPKZCQIPHZJP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.66
Rot. Bonds5

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

3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile (PubChem CID 106526197) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile.

Molecular Properties

Compound Name3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
PubChem CID106526197
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
SMILESCCC(C)(CC#N)Cc1nc(-c2ccc(Cl)cn2)no1
InChIInChI=1S/C14H15ClN4O/c1-3-14(2,6-7-16)8-12-18-13(19-20-12)11-5-4-10(15)9-17-11/h4-5,9H,3,6,8H2,1-2H3
InChIKeyLMDPKZCQIPHZJP-UHFFFAOYSA-N
XLogP3.66
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile?
The IUPAC name of 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile (CID 106526197) is 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile.
What is the SMILES notation for 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile?
The canonical SMILES for 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile is CCC(C)(CC#N)Cc1nc(-c2ccc(Cl)cn2)no1.
What is the InChIKey of 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile?
The InChIKey is LMDPKZCQIPHZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-3-14(2,6-7-16)8-12-18-13(19-20-12)11-5-4-10(15)9-17-11/h4-5,9H,3,6,8H2,1-2H3.
What are the key properties of 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile?
3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile has a molecular weight of 290.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile is sourced from PubChem (CID 106526197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).