5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H10N4O — CID 15646289

IUPAC5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2c[nH]c3ccccc23)o1
InChIInChI=1S/C11H10N4O/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)
InChIKeyRDBKKUAWHAHIQK-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.72
Rot. Bonds2

About 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 15646289) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID15646289
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(Cc2c[nH]c3ccccc23)o1
InChIInChI=1S/C11H10N4O/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)
InChIKeyRDBKKUAWHAHIQK-UHFFFAOYSA-N
XLogP1.72
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-ylmethyl)-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137356
2-(1H-indol-3-ylmethyl)-5-(5-nitrofuran-2-yl)-1,3,4-oxadiazole
CID 12921346
(E)-N-(2-aminophenyl)-3-[4-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707840
1-(1H-indol-3-ylmethyl)isoquinoline
CID 24973276
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29151879
3-ethyl-1H-indole;methanamine
CID 142222050
2-(1H-indol-3-ylmethyl)-3-methylaniline
CID 175306160
ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol
CID 159445993
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 118722142

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 15646289) is 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(Cc2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RDBKKUAWHAHIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15).
What are the key properties of 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 214.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15646289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).