5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C16H15N3O2 — CID 845257

IUPAC5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(C)c(OCc2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C16H15N3O2/c1-11-6-7-12(2)14(9-11)20-10-15-18-16(19-21-15)13-5-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyPAXRAGLAHBMYFQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.33
Rot. Bonds4

About 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 845257) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID845257
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(C)c(OCc2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C16H15N3O2/c1-11-6-7-12(2)14(9-11)20-10-15-18-16(19-21-15)13-5-3-4-8-17-13/h3-9H,10H2,1-2H3
InChIKeyPAXRAGLAHBMYFQ-UHFFFAOYSA-N
XLogP3.33
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 56901585
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 78817284
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
1-(2,5-dimethylphenyl)-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]thiourea
CID 86985401
3-(4-methylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-oxadiazole;hydrate
CID 139086057
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
2-[(2,5-dimethylphenoxy)methyl]-5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 39907963
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 845257) is 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(C)c(OCc2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is PAXRAGLAHBMYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-6-7-12(2)14(9-11)20-10-15-18-16(19-21-15)13-5-3-4-8-17-13/h3-9H,10H2,1-2H3.
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 281.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 845257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).