[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium

C18H26N5O+ — CID 168720619

IUPAC[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium
SMILES[NH3+][C@@H](Cc1cnc[nH]1)c1nc(CC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C18H25N5O/c19-15(4-14-9-20-10-21-14)17-22-16(23-24-17)8-18-5-11-1-12(6-18)3-13(2-11)7-18/h9-13,15H,1-8,19H2,(H,20,21)/p+1/t11?,12?,13?,15-,18?/m0/s1
InChIKeyRLNYCTQJBSSCLI-ZJZJNUNYSA-O
MW328.44 g/mol
LogP2.08
Rot. Bonds5

About [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium

[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium (PubChem CID 168720619) has the molecular formula C18H26N5O+ and a molecular weight of 328.44 g/mol. Its IUPAC name is [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium
PubChem CID168720619
Molecular FormulaC18H26N5O+
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium
SMILES[NH3+][C@@H](Cc1cnc[nH]1)c1nc(CC23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C18H25N5O/c19-15(4-14-9-20-10-21-14)17-22-16(23-24-17)8-18-5-11-1-12(6-18)3-13(2-11)7-18/h9-13,15H,1-8,19H2,(H,20,21)/p+1/t11?,12?,13?,15-,18?/m0/s1
InChIKeyRLNYCTQJBSSCLI-ZJZJNUNYSA-O
XLogP2.08
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium with MolForge

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Related Compounds

1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79954868
1-(1H-imidazol-5-yl)-N-[(3-methyl-1-adamantyl)methyl]propan-2-amine
CID 123762788
(1S)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894670
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1R)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894813
(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
(1S)-1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894582
1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 79987157
(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894609

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium (CID 168720619) is [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium is [NH3+][C@@H](Cc1cnc[nH]1)c1nc(CC23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium?
The InChIKey is RLNYCTQJBSSCLI-ZJZJNUNYSA-O. The full InChI is InChI=1S/C18H25N5O/c19-15(4-14-9-20-10-21-14)17-22-16(23-24-17)8-18-5-11-1-12(6-18)3-13(2-11)7-18/h9-13,15H,1-8,19H2,(H,20,21)/p+1/t11?,12?,13?,15-,18?/m0/s1.
What are the key properties of [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium?
[(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium has a molecular weight of 328.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[3-(1-adamantylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethyl]azanium is sourced from PubChem (CID 168720619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).