4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile

C14H11N5O — CID 86781011

IUPAC4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
SMILESCc1ccn(Cc2nnc(-c3ccc(C#N)cc3)o2)n1
InChIInChI=1S/C14H11N5O/c1-10-6-7-19(18-10)9-13-16-17-14(20-13)12-4-2-11(8-15)3-5-12/h2-7H,9H2,1H3
InChIKeyYUWUYPRSZHOTGD-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.16
Rot. Bonds3

About 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile

4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile (PubChem CID 86781011) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
PubChem CID86781011
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
SMILESCc1ccn(Cc2nnc(-c3ccc(C#N)cc3)o2)n1
InChIInChI=1S/C14H11N5O/c1-10-6-7-19(18-10)9-13-16-17-14(20-13)12-4-2-11(8-15)3-5-12/h2-7H,9H2,1H3
InChIKeyYUWUYPRSZHOTGD-UHFFFAOYSA-N
XLogP2.16
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile?
The IUPAC name of 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile (CID 86781011) is 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile?
The canonical SMILES for 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile is Cc1ccn(Cc2nnc(-c3ccc(C#N)cc3)o2)n1.
What is the InChIKey of 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile?
The InChIKey is YUWUYPRSZHOTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-10-6-7-19(18-10)9-13-16-17-14(20-13)12-4-2-11(8-15)3-5-12/h2-7H,9H2,1H3.
What are the key properties of 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile?
4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile is sourced from PubChem (CID 86781011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).