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

C18H26N2O — CID 102384865

IUPAC2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
SMILESCCCCCCCCCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H26N2O/c1-3-4-5-6-7-8-9-10-17-19-20-18(21-17)16-13-11-15(2)12-14-16/h11-14H,3-10H2,1-2H3
InChIKeyNSTVEOHAYKFUHO-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.34
Rot. Bonds9

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

2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole (PubChem CID 102384865) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
PubChem CID102384865
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
SMILESCCCCCCCCCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H26N2O/c1-3-4-5-6-7-8-9-10-17-19-20-18(21-17)16-13-11-15(2)12-14-16/h11-14H,3-10H2,1-2H3
InChIKeyNSTVEOHAYKFUHO-UHFFFAOYSA-N
XLogP5.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 170211630
2-(4-azidophenyl)-5-butyl-1,3,4-oxadiazole
CID 169325370
2-chloro-5-heptyl-1,3,4-oxadiazole
CID 114770895
2-(4-octylphenyl)-5-[6-[5-(4-octylphenyl)-1,3,4-oxadiazol-2-yl]-1,2,4,5-tetrazin-3-yl]-1,3,4-oxadiazole
CID 10651109
1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propyl]pyrrolidine-2,5-dione
CID 17035023
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
2-[3-heptoxy-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 101405011
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
3-(5-pentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382298
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321394
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51230110

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole (CID 102384865) is 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole is CCCCCCCCCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole?
The InChIKey is NSTVEOHAYKFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-4-5-6-7-8-9-10-17-19-20-18(21-17)16-13-11-15(2)12-14-16/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole has a molecular weight of 286.42 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole is sourced from PubChem (CID 102384865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).