(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane

C8H18N4O — CID 162061576

IUPAC(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane
SMILESC.C[C@H](N)c1nc(CN(C)C)no1
InChIInChI=1S/C7H14N4O.CH4/c1-5(8)7-9-6(10-12-7)4-11(2)3;/h5H,4,8H2,1-3H3;1H4/t5-;/m0./s1
InChIKeyYZXJILVLGYJCJN-JEDNCBNOSA-N
MW186.26 g/mol
LogP0.79
Rot. Bonds3

About (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane

(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane (PubChem CID 162061576) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane.

Molecular Properties

Compound Name(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane
PubChem CID162061576
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane
SMILESC.C[C@H](N)c1nc(CN(C)C)no1
InChIInChI=1S/C7H14N4O.CH4/c1-5(8)7-9-6(10-12-7)4-11(2)3;/h5H,4,8H2,1-3H3;1H4/t5-;/m0./s1
InChIKeyYZXJILVLGYJCJN-JEDNCBNOSA-N
XLogP0.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 79077153
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79076954
ethyl 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 79475173
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728
1-(5-fluoro-1,2,4-oxadiazol-3-yl)-N,N-dimethylmethanamine
CID 146499062
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
(1R)-1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 93259640
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115347304
5-(1-aminoethyl)-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 116806455
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
(1S)-1-[3-[(3,4-dibromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 11792909

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane?
The IUPAC name of (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane (CID 162061576) is (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane.
What is the SMILES notation for (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane?
The canonical SMILES for (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane is C.C[C@H](N)c1nc(CN(C)C)no1.
What is the InChIKey of (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane?
The InChIKey is YZXJILVLGYJCJN-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H14N4O.CH4/c1-5(8)7-9-6(10-12-7)4-11(2)3;/h5H,4,8H2,1-3H3;1H4/t5-;/m0./s1.
What are the key properties of (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane?
(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane has a molecular weight of 186.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane is sourced from PubChem (CID 162061576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).