N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine

C20H17N3OS — CID 25341023

IUPACN-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine
SMILESC[C@H](Nc1ccc2c3c(cccc13)CC2)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H17N3OS/c1-12(19-22-23-20(24-19)17-6-3-11-25-17)21-16-10-9-14-8-7-13-4-2-5-15(16)18(13)14/h2-6,9-12,21H,7-8H2,1H3/t12-/m0/s1
InChIKeyFXSMHDVAZZGIHN-LBPRGKRZSA-N
MW347.44 g/mol
LogP5.22
Rot. Bonds4

About N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine

N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine (PubChem CID 25341023) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine
PubChem CID25341023
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine
SMILESC[C@H](Nc1ccc2c3c(cccc13)CC2)c1nnc(-c2cccs2)o1
InChIInChI=1S/C20H17N3OS/c1-12(19-22-23-20(24-19)17-6-3-11-25-17)21-16-10-9-14-8-7-13-4-2-5-15(16)18(13)14/h2-6,9-12,21H,7-8H2,1H3/t12-/m0/s1
InChIKeyFXSMHDVAZZGIHN-LBPRGKRZSA-N
XLogP5.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 41042211
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
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(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
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(6S)-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95304751
2-[(1R)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
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[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-naphthalen-1-ylacetate
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(1R)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine?
The IUPAC name of N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine (CID 25341023) is N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine.
What is the SMILES notation for N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine?
The canonical SMILES for N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine is C[C@H](Nc1ccc2c3c(cccc13)CC2)c1nnc(-c2cccs2)o1.
What is the InChIKey of N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine?
The InChIKey is FXSMHDVAZZGIHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-12(19-22-23-20(24-19)17-6-3-11-25-17)21-16-10-9-14-8-7-13-4-2-5-15(16)18(13)14/h2-6,9-12,21H,7-8H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine?
N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine has a molecular weight of 347.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,2-dihydroacenaphthylen-5-amine is sourced from PubChem (CID 25341023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).