[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine

C14H17N3O — CID 117360199

IUPAC[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc3c(c2)CCCCC3)no1
InChIInChI=1S/C14H17N3O/c15-9-13-16-14(17-18-13)12-7-6-10-4-2-1-3-5-11(10)8-12/h6-8H,1-5,9,15H2
InChIKeyMYNKMXUGVMFJAI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds2

About [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117360199) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117360199
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc3c(c2)CCCCC3)no1
InChIInChI=1S/C14H17N3O/c15-9-13-16-14(17-18-13)12-7-6-10-4-2-1-3-5-11(10)8-12/h6-8H,1-5,9,15H2
InChIKeyMYNKMXUGVMFJAI-UHFFFAOYSA-N
XLogP2.46
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117401910
2-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]ethyl acetate
CID 139425078
[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117370172
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137011517
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
CID 117362341
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
(3-isoquinolin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 117325171
[3-(3-cyclobutylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330765
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[3-(1,2-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336157

Frequently Asked Questions

What is the IUPAC name of [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117360199) is [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccc3c(c2)CCCCC3)no1.
What is the InChIKey of [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is MYNKMXUGVMFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-13-16-14(17-18-13)12-7-6-10-4-2-1-3-5-11(10)8-12/h6-8H,1-5,9,15H2.
What are the key properties of [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117360199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).