7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

C24H23N3O2 — CID 167794474

IUPAC7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2cccc(Cc3noc(-c4ccc5c(c4)C(N)CCC5)n3)c2c1
InChIInChI=1S/C24H23N3O2/c1-28-19-11-10-15-4-2-6-17(20(15)14-19)13-23-26-24(29-27-23)18-9-8-16-5-3-7-22(25)21(16)12-18/h2,4,6,8-12,14,22H,3,5,7,13,25H2,1H3
InChIKeyFUDARDQKGQXGFH-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.83
Rot. Bonds4

About 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 167794474) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID167794474
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2cccc(Cc3noc(-c4ccc5c(c4)C(N)CCC5)n3)c2c1
InChIInChI=1S/C24H23N3O2/c1-28-19-11-10-15-4-2-6-17(20(15)14-19)13-23-26-24(29-27-23)18-9-8-16-5-3-7-22(25)21(16)12-18/h2,4,6,8-12,14,22H,3,5,7,13,25H2,1H3
InChIKeyFUDARDQKGQXGFH-UHFFFAOYSA-N
XLogP4.83
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 167794474) is 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2cccc(Cc3noc(-c4ccc5c(c4)C(N)CCC5)n3)c2c1.
What is the InChIKey of 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FUDARDQKGQXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-28-19-11-10-15-4-2-6-17(20(15)14-19)13-23-26-24(29-27-23)18-9-8-16-5-3-7-22(25)21(16)12-18/h2,4,6,8-12,14,22H,3,5,7,13,25H2,1H3.
What are the key properties of 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 385.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(7-methoxynaphthalen-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 167794474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).