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

C13H15N3O2 — CID 137011517

IUPAC2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNCc1nc(-c2ccc3c(c2O)CCCC3)no1
InChIInChI=1S/C13H15N3O2/c14-7-11-15-13(16-18-11)10-6-5-8-3-1-2-4-9(8)12(10)17/h5-6,17H,1-4,7,14H2
InChIKeyFOZBBZSKSCRJAM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.78
Rot. Bonds2

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

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 137011517) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID137011517
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESNCc1nc(-c2ccc3c(c2O)CCCC3)no1
InChIInChI=1S/C13H15N3O2/c14-7-11-15-13(16-18-11)10-6-5-8-3-1-2-4-9(8)12(10)17/h5-6,17H,1-4,7,14H2
InChIKeyFOZBBZSKSCRJAM-UHFFFAOYSA-N
XLogP1.78
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117370172
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
2-(5-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137007240
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-6-methoxyphenol
CID 117350049
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-methylphenol
CID 136952236
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
CID 136993733
2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-bromo-3,4-dimethylphenol
CID 136966332

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 137011517) is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol is NCc1nc(-c2ccc3c(c2O)CCCC3)no1.
What is the InChIKey of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is FOZBBZSKSCRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-11-15-13(16-18-11)10-6-5-8-3-1-2-4-9(8)12(10)17/h5-6,17H,1-4,7,14H2.
What are the key properties of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol?
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 245.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 137011517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).