5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

C14H14N4O — CID 75420271

IUPAC5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1cc(CCc2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C14H14N4O/c1-18-10-11(9-15-18)7-8-13-16-14(17-19-13)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyFAZQPTWJCWDSHS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.26
Rot. Bonds4

About 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 75420271) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID75420271
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1cc(CCc2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C14H14N4O/c1-18-10-11(9-15-18)7-8-13-16-14(17-19-13)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyFAZQPTWJCWDSHS-UHFFFAOYSA-N
XLogP2.26
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (CID 75420271) is 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is Cn1cc(CCc2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FAZQPTWJCWDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-10-11(9-15-18)7-8-13-16-14(17-19-13)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 254.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 75420271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).