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

C8H11N5O2 — CID 136755756

IUPAC3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCCC(O)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C8H11N5O2/c9-2-1-5(14)8-12-7(13-15-8)6-10-3-4-11-6/h3-5,14H,1-2,9H2,(H,10,11)
InChIKeyPJGNSEORABWVBS-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.16
Rot. Bonds4

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

3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 136755756) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID136755756
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCCC(O)c1nc(-c2ncc[nH]2)no1
InChIInChI=1S/C8H11N5O2/c9-2-1-5(14)8-12-7(13-15-8)6-10-3-4-11-6/h3-5,14H,1-2,9H2,(H,10,11)
InChIKeyPJGNSEORABWVBS-UHFFFAOYSA-N
XLogP-0.16
TPSA113.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 136854692
(1S)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 136820497
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904
1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 137013136
(1S)-3-amino-1-(3-amino-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107837041
3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836841
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732
3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114007003
3-amino-1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837393
3-(1H-imidazol-2-yl)-5-methyl-1,2,4-oxadiazole
CID 137219999

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 136755756) is 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is NCCC(O)c1nc(-c2ncc[nH]2)no1.
What is the InChIKey of 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is PJGNSEORABWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-2-1-5(14)8-12-7(13-15-8)6-10-3-4-11-6/h3-5,14H,1-2,9H2,(H,10,11).
What are the key properties of 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 209.21 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 136755756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).