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

C16H21N3O2 — CID 65456302

IUPAC5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCc1nc(COc2cccc3c2CCCC3N)no1
InChIInChI=1S/C16H21N3O2/c1-2-5-16-18-15(19-21-16)10-20-14-9-4-6-11-12(14)7-3-8-13(11)17/h4,6,9,13H,2-3,5,7-8,10,17H2,1H3
InChIKeyDAAYWKNEIHQVHZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds5

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

5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65456302) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65456302
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCc1nc(COc2cccc3c2CCCC3N)no1
InChIInChI=1S/C16H21N3O2/c1-2-5-16-18-15(19-21-16)10-20-14-9-4-6-11-12(14)7-3-8-13(11)17/h4,6,9,13H,2-3,5,7-8,10,17H2,1H3
InChIKeyDAAYWKNEIHQVHZ-UHFFFAOYSA-N
XLogP2.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456301
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]-3,4-dihydro-2H-naphthalen-1-one
CID 65453876
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455719
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
1-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 61495555
(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-(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-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932

Frequently Asked Questions

What is the IUPAC name of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65456302) is 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CCCc1nc(COc2cccc3c2CCCC3N)no1.
What is the InChIKey of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DAAYWKNEIHQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-5-16-18-15(19-21-16)10-20-14-9-4-6-11-12(14)7-3-8-13(11)17/h4,6,9,13H,2-3,5,7-8,10,17H2,1H3.
What are the key properties of 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[(5-propyl-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 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65456302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).