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

C14H11N3O — CID 872987

IUPAC2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C14H11N3O/c1-10-3-2-4-12(9-10)14-17-16-13(18-14)11-5-7-15-8-6-11/h2-9H,1H3
InChIKeyDIQOEJPUEMTAOQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds2

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

2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 872987) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID872987
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C14H11N3O/c1-10-3-2-4-12(9-10)14-17-16-13(18-14)11-5-7-15-8-6-11/h2-9H,1H3
InChIKeyDIQOEJPUEMTAOQ-UHFFFAOYSA-N
XLogP3.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 99962666
2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 56697618
butane;4-(3-methylphenyl)pyridine
CID 155692257
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 872987) is 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is Cc1cccc(-c2nnc(-c3ccncc3)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is DIQOEJPUEMTAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-3-2-4-12(9-10)14-17-16-13(18-14)11-5-7-15-8-6-11/h2-9H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 237.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 872987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).