(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C8H11N5O — CID 136854692

IUPAC(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C8H11N5O/c1-2-5(9)8-12-7(13-14-8)6-10-3-4-11-6/h3-5H,2,9H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyMIBAGHUZQZCSFZ-RXMQYKEDSA-N
MW193.21 g/mol
LogP0.87
Rot. Bonds3

About (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 136854692) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID136854692
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC[C@@H](N)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C8H11N5O/c1-2-5(9)8-12-7(13-14-8)6-10-3-4-11-6/h3-5H,2,9H2,1H3,(H,10,11)/t5-/m1/s1
InChIKeyMIBAGHUZQZCSFZ-RXMQYKEDSA-N
XLogP0.87
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

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Related Compounds

(1S)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 136820497
1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 137013136
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999
(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915427
(1R)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915429
2-ethyl-2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 137012523
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 130992107
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 155272203
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104899989

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 136854692) is (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC[C@@H](N)c1nc(-c2ncc[nH]2)no1.
What is the InChIKey of (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is MIBAGHUZQZCSFZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-5(9)8-12-7(13-14-8)6-10-3-4-11-6/h3-5H,2,9H2,1H3,(H,10,11)/t5-/m1/s1.
What are the key properties of (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 193.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 136854692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).