N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine

C18H16N4O — CID 135921697

IUPACN-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2nnc(-c3cc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C18H16N4O/c1-2-6-13(7-3-1)11-19-12-17-21-22-18(23-17)16-10-14-8-4-5-9-15(14)20-16/h1-10,19-20H,11-12H2
InChIKeyZLJSXTQGSKAFTJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.51
Rot. Bonds5

About N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine

N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 135921697) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID135921697
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2nnc(-c3cc4ccccc4[nH]3)o2)cc1
InChIInChI=1S/C18H16N4O/c1-2-6-13(7-3-1)11-19-12-17-21-22-18(23-17)16-10-14-8-4-5-9-15(14)20-16/h1-10,19-20H,11-12H2
InChIKeyZLJSXTQGSKAFTJ-UHFFFAOYSA-N
XLogP3.51
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
CID 137153670
2-(1H-indol-2-yl)-5-(methoxymethyl)-1,3,4-oxadiazole
CID 137221851
1-(3-fluorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60976880
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 137090733
2-(1H-indol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 137308252
3-[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 137308248
N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137114695
5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 135879429
1-(6-methyl-3-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 62995674
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine (CID 135921697) is N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine is c1ccc(CNCc2nnc(-c3cc4ccccc4[nH]3)o2)cc1.
What is the InChIKey of N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is ZLJSXTQGSKAFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-6-13(7-3-1)11-19-12-17-21-22-18(23-17)16-10-14-8-4-5-9-15(14)20-16/h1-10,19-20H,11-12H2.
What are the key properties of N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine?
N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 304.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 135921697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).