4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one

C14H11N3O2 — CID 569085

IUPAC4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESCc1ccccc1-n1c(-c2cccnc2)noc1=O
InChIInChI=1S/C14H11N3O2/c1-10-5-2-3-7-12(10)17-13(16-19-14(17)18)11-6-4-8-15-9-11/h2-9H,1H3
InChIKeyPOPVJMPAJAYSAZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.20
Rot. Bonds2

About 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one

4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one (PubChem CID 569085) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
PubChem CID569085
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESCc1ccccc1-n1c(-c2cccnc2)noc1=O
InChIInChI=1S/C14H11N3O2/c1-10-5-2-3-7-12(10)17-13(16-19-14(17)18)11-6-4-8-15-9-11/h2-9H,1H3
InChIKeyPOPVJMPAJAYSAZ-UHFFFAOYSA-N
XLogP2.20
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one (CID 569085) is 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one is Cc1ccccc1-n1c(-c2cccnc2)noc1=O.
What is the InChIKey of 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The InChIKey is POPVJMPAJAYSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-5-2-3-7-12(10)17-13(16-19-14(17)18)11-6-4-8-15-9-11/h2-9H,1H3.
What are the key properties of 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one has a molecular weight of 253.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 569085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).