N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine

C18H16N4O — CID 175670558

IUPACN-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(C)c1Nc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H16N4O/c1-11-6-5-7-12(2)16(11)20-18-22-21-17(23-18)14-10-19-15-9-4-3-8-13(14)15/h3-10,19H,1-2H3,(H,20,22)
InChIKeyLAVMNKMXZHEJAN-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.58
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine

N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 175670558) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID175670558
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(C)c1Nc1nnc(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H16N4O/c1-11-6-5-7-12(2)16(11)20-18-22-21-17(23-18)14-10-19-15-9-4-3-8-13(14)15/h3-10,19H,1-2H3,(H,20,22)
InChIKeyLAVMNKMXZHEJAN-UHFFFAOYSA-N
XLogP4.58
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 175670615
6-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-2,4,5-trimethylpyridin-3-ol
CID 139559776
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
2-(1H-indol-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 135623350
2-(1H-indol-3-yl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazole
CID 135667478
N-(2,3-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135763691
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968307
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959
N-(2,6-dichloro-3-methylphenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 135710185
2-(1H-indol-3-yl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 135798291
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 2636938

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine (CID 175670558) is N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine is Cc1cccc(C)c1Nc1nnc(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LAVMNKMXZHEJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-6-5-7-12(2)16(11)20-18-22-21-17(23-18)14-10-19-15-9-4-3-8-13(14)15/h3-10,19H,1-2H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine?
N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 175670558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).