5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3O2 — CID 65456301

IUPAC5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1nc(COc2cccc3c2CCCC3N)no1
InChIInChI=1S/C16H21N3O2/c1-10(2)16-18-15(19-21-16)9-20-14-8-4-5-11-12(14)6-3-7-13(11)17/h4-5,8,10,13H,3,6-7,9,17H2,1-2H3
InChIKeyWJNPXXGOIHEMCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.11
Rot. Bonds4

About 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456301) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456301
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1nc(COc2cccc3c2CCCC3N)no1
InChIInChI=1S/C16H21N3O2/c1-10(2)16-18-15(19-21-16)9-20-14-8-4-5-11-12(14)6-3-7-13(11)17/h4-5,8,10,13H,3,6-7,9,17H2,1-2H3
InChIKeyWJNPXXGOIHEMCA-UHFFFAOYSA-N
XLogP3.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456100
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456302
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455719
1-[2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61497359
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63089486
5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357
5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104796375
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029

Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456301) is 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)c1nc(COc2cccc3c2CCCC3N)no1.
What is the InChIKey of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WJNPXXGOIHEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)16-18-15(19-21-16)9-20-14-8-4-5-11-12(14)6-3-7-13(11)17/h4-5,8,10,13H,3,6-7,9,17H2,1-2H3.
What are the key properties of 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).