[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

C13H14FN3O — CID 117370172

IUPAC[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc3c(c2F)CCCC3)no1
InChIInChI=1S/C13H14FN3O/c14-12-9-4-2-1-3-8(9)5-6-10(12)13-16-11(7-15)18-17-13/h5-6H,1-4,7,15H2
InChIKeyNJWZDHGMSLZHRU-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.21
Rot. Bonds2

About [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117370172) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117370172
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc3c(c2F)CCCC3)no1
InChIInChI=1S/C13H14FN3O/c14-12-9-4-2-1-3-8(9)5-6-10(12)13-16-11(7-15)18-17-13/h5-6H,1-4,7,15H2
InChIKeyNJWZDHGMSLZHRU-UHFFFAOYSA-N
XLogP2.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137011517
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-(3-chloro-2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397358
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-6-methoxyphenol
CID 117350049
[3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83403632
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
[3-(2-fluoro-5-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346147
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
[3-(2,4-difluoro-3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430536

Frequently Asked Questions

What is the IUPAC name of [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117370172) is [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccc3c(c2F)CCCC3)no1.
What is the InChIKey of [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is NJWZDHGMSLZHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-12-9-4-2-1-3-8(9)5-6-10(12)13-16-11(7-15)18-17-13/h5-6H,1-4,7,15H2.
What are the key properties of [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117370172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).