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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Related Compounds

N-hydroxy-N'-(2-methylphenyl)pyridine-3-carboximidamide
CID 2727253
N-(2-methylphenyl)-N'-(3-pyridinylmethyl)urea
CID 853674
4-(2-fluorophenyl)-3-(3-pyridinyl)-1,2,4-oxadiazol-5(4H)-one
CID 2727255
1,2,4-Oxadiazol-5(2H)-one, 3-(3-pyridinyl)-
CID 135456618
N-(2-methylphenyl)-1-pyridin-4-ylmethanimine oxide
CID 702433
1,2,4-Oxadiazol-5(4H)-one, 3-[4-(trifluoromethyl)-3-pyridyl]-4-(2,4-dimethylphenyl)-]
CID 576457
1,2,4-Oxadiazol-5(4H)-one, 3-(2,6-difluorophenyl)-4-(3-pyridyl)-
CID 615858
1,2,4-Oxadiazol-5(4H)-one, 4-(3-trifluorophenyl)-3-(3-pyridyl)-
CID 621926
N'-hydroxy-2-(1H-pyrrol-1-yl)benzenecarboximidamide
CID 9634601
(E)-[(Pyridin-4-YL)methylidene]amino N-phenylcarbamate
CID 5722572
3-Pyridin-3-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
CID 2727256
4-[(4,4-Difluorocyclohexyl)methyl]-3-[(2-methylpyridin-3-yl)methyl]-1,2,4-oxadiazol-5-one
CID 135371017

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).