[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine

C15H16N4O — CID 102916500

IUPAC[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
SMILESNCc1ccc2ccn(Cc3noc(C4CC4)n3)c2c1
InChIInChI=1S/C15H16N4O/c16-8-10-1-2-11-5-6-19(13(11)7-10)9-14-17-15(20-18-14)12-3-4-12/h1-2,5-7,12H,3-4,8-9,16H2
InChIKeyGLNNMBQRBQTEJS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.41
Rot. Bonds4

About [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine (PubChem CID 102916500) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
PubChem CID102916500
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
SMILESNCc1ccc2ccn(Cc3noc(C4CC4)n3)c2c1
InChIInChI=1S/C15H16N4O/c16-8-10-1-2-11-5-6-19(13(11)7-10)9-14-17-15(20-18-14)12-3-4-12/h1-2,5-7,12H,3-4,8-9,16H2
InChIKeyGLNNMBQRBQTEJS-UHFFFAOYSA-N
XLogP2.41
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine with MolForge

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Related Compounds

[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
CID 62222657
[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methanamine
CID 102916473
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66398685
[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methanamine
CID 65165019
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]cyclopropanamine
CID 102916925
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
CID 66399542
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 61497179
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indol-6-yl]methanamine
CID 115334616
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine?
The IUPAC name of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine (CID 102916500) is [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine.
What is the SMILES notation for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine?
The canonical SMILES for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine is NCc1ccc2ccn(Cc3noc(C4CC4)n3)c2c1.
What is the InChIKey of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine?
The InChIKey is GLNNMBQRBQTEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-10-1-2-11-5-6-19(13(11)7-10)9-14-17-15(20-18-14)12-3-4-12/h1-2,5-7,12H,3-4,8-9,16H2.
What are the key properties of [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine?
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indol-6-yl]methanamine is sourced from PubChem (CID 102916500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).