2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole

C19H20N2O2 — CID 56697618

IUPAC2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCCCCOc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-4-12-22-17-10-8-15(9-11-17)18-20-21-19(23-18)16-7-5-6-14(2)13-16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyLFVWMIVQJHGXLC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.89
Rot. Bonds6

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

2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 56697618) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID56697618
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCCCCOc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-4-12-22-17-10-8-15(9-11-17)18-20-21-19(23-18)16-7-5-6-14(2)13-16/h5-11,13H,3-4,12H2,1-2H3
InChIKeyLFVWMIVQJHGXLC-UHFFFAOYSA-N
XLogP4.89
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
2-[3-heptoxy-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 101405011
5-(3-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 91675556
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
2-(4-butoxyphenyl)-5-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 52673758
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
2-[3-ethenyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-octoxyphenyl)-1,3,4-oxadiazole
CID 58468621
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
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 56697618) is 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is CCCCOc1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is LFVWMIVQJHGXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-4-12-22-17-10-8-15(9-11-17)18-20-21-19(23-18)16-7-5-6-14(2)13-16/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56697618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).