1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride

C8H11ClN4O2 — CID 130992107

IUPAC1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
SMILESCCC(N)c1nc(-c2ccon2)no1.Cl
InChIInChI=1S/C8H10N4O2.ClH/c1-2-5(9)8-10-7(12-14-8)6-3-4-13-11-6;/h3-5H,2,9H2,1H3;1H
InChIKeyGJJQWNCTWKQKRR-UHFFFAOYSA-N
MW230.66 g/mol
LogP1.56
Rot. Bonds3

About 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride

1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride (PubChem CID 130992107) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
PubChem CID130992107
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
SMILESCCC(N)c1nc(-c2ccon2)no1.Cl
InChIInChI=1S/C8H10N4O2.ClH/c1-2-5(9)8-10-7(12-14-8)6-3-4-13-11-6;/h3-5H,2,9H2,1H3;1H
InChIKeyGJJQWNCTWKQKRR-UHFFFAOYSA-N
XLogP1.56
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,2-oxazol-3-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 131019081
(1R)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915429
(1S)-1-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915427
(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 155272203
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
(1S)-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 94549155
(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947822
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947990
5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 131172474
(1R)-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 136854692
(1S)-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93097128
(1R)-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94420580

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
The IUPAC name of 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride (CID 130992107) is 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride is CCC(N)c1nc(-c2ccon2)no1.Cl.
What is the InChIKey of 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
The InChIKey is GJJQWNCTWKQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.ClH/c1-2-5(9)8-10-7(12-14-8)6-3-4-13-11-6;/h3-5H,2,9H2,1H3;1H.
What are the key properties of 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride?
1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride has a molecular weight of 230.66 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 130992107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).