N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine

C19H15N3O2 — CID 134019621

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
SMILESc1coc(-c2noc(CNc3ccc4c5c(cccc35)CC4)n2)c1
InChIInChI=1S/C19H15N3O2/c1-3-12-6-7-13-8-9-15(14(4-1)18(12)13)20-11-17-21-19(22-24-17)16-5-2-10-23-16/h1-5,8-10,20H,6-7,11H2
InChIKeyCRWVEQIYIXFZAN-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.19
Rot. Bonds4

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine (PubChem CID 134019621) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
PubChem CID134019621
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
SMILESc1coc(-c2noc(CNc3ccc4c5c(cccc35)CC4)n2)c1
InChIInChI=1S/C19H15N3O2/c1-3-12-6-7-13-8-9-15(14(4-1)18(12)13)20-11-17-21-19(22-24-17)16-5-2-10-23-16/h1-5,8-10,20H,6-7,11H2
InChIKeyCRWVEQIYIXFZAN-UHFFFAOYSA-N
XLogP4.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine with MolForge

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Related Compounds

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
CID 134019628
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 47153889
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 55551771
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 138020740
5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
CID 43052587
4-(difluoromethoxy)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 34067149
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
CID 51121709
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63352296
(2R)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95158981

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine (CID 134019621) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine is c1coc(-c2noc(CNc3ccc4c5c(cccc35)CC4)n2)c1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine?
The InChIKey is CRWVEQIYIXFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-3-12-6-7-13-8-9-15(14(4-1)18(12)13)20-11-17-21-19(22-24-17)16-5-2-10-23-16/h1-5,8-10,20H,6-7,11H2.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine has a molecular weight of 317.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine is sourced from PubChem (CID 134019621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).