4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C10H18N4O2 — CID 115345329

IUPAC4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCN(C)CCc1noc(C2COCC2N)n1
InChIInChI=1S/C10H18N4O2/c1-14(2)4-3-9-12-10(16-13-9)7-5-15-6-8(7)11/h7-8H,3-6,11H2,1-2H3
InChIKeyLKFCEZRQOZXEGY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.39
Rot. Bonds4

About 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 115345329) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID115345329
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCN(C)CCc1noc(C2COCC2N)n1
InChIInChI=1S/C10H18N4O2/c1-14(2)4-3-9-12-10(16-13-9)7-5-15-6-8(7)11/h7-8H,3-6,11H2,1-2H3
InChIKeyLKFCEZRQOZXEGY-UHFFFAOYSA-N
XLogP-0.39
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 66240879
4-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 114211243
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474625
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 115345518
4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 113391148
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239900
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcycloheptan-1-amine
CID 115347333
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79077058
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116701893
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116740558

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 115345329) is 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CN(C)CCc1noc(C2COCC2N)n1.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is LKFCEZRQOZXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14(2)4-3-9-12-10(16-13-9)7-5-15-6-8(7)11/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 226.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 115345329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).