[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C8H14ClN3O2 — CID 154878961

IUPAC[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C8H13N3O2.ClH/c9-5-7-10-8(11-13-7)6-1-3-12-4-2-6;/h6H,1-5,9H2;1H
InChIKeyAUQSMOUNLRXZPC-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.84
Rot. Bonds2

About [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 154878961) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID154878961
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(C2CCOCC2)no1
InChIInChI=1S/C8H13N3O2.ClH/c9-5-7-10-8(11-13-7)6-1-3-12-4-2-6;/h6H,1-5,9H2;1H
InChIKeyAUQSMOUNLRXZPC-UHFFFAOYSA-N
XLogP0.84
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine hydrochloride
CID 137832736
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine hydrochloride
CID 137832747
[5-(Oxan-4-yl)-1,2,4-oxadiazol-3-yl]methanamine hydrochloride
CID 137965907
4-[3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine hydrochloride
CID 138039477
2-(3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 165900121
Oxan-4-yl-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55065937
(5-(Tetrahydro-2h-pyran-4-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 62907456
2-[3-(Oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine
CID 65329408
2,2,2-trifluoro-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258193
1,1,1-Trifluoro-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797991
4-(3-Ethyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292520
4-(3-Methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 115292521

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 154878961) is [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(C2CCOCC2)no1.
What is the InChIKey of [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is AUQSMOUNLRXZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c9-5-7-10-8(11-13-7)6-1-3-12-4-2-6;/h6H,1-5,9H2;1H.
What are the key properties of [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 154878961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).