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

C18H15N3O — CID 860744

IUPAC2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cn(C)c4ccccc34)o2)cc1
InChIInChI=1S/C18H15N3O/c1-12-7-9-13(10-8-12)17-19-20-18(22-17)15-11-21(2)16-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyWPERSJCPVMPEKY-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.20
Rot. Bonds2

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

2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 860744) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID860744
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cn(C)c4ccccc34)o2)cc1
InChIInChI=1S/C18H15N3O/c1-12-7-9-13(10-8-12)17-19-20-18(22-17)15-11-21(2)16-6-4-3-5-14(15)16/h3-11H,1-2H3
InChIKeyWPERSJCPVMPEKY-UHFFFAOYSA-N
XLogP4.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 860744) is 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cn(C)c4ccccc34)o2)cc1.
What is the InChIKey of 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is WPERSJCPVMPEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-7-9-13(10-8-12)17-19-20-18(22-17)15-11-21(2)16-6-4-3-5-14(15)16/h3-11H,1-2H3.
What are the key properties of 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).