N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine

C10H18N4O2 — CID 106474742

IUPACN,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCNC1CCOCC1c1nc(N(C)C)no1
InChIInChI=1S/C10H18N4O2/c1-11-8-4-5-15-6-7(8)9-12-10(13-16-9)14(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyUXNFBPWPMCVFAS-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds3

About N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 106474742) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID106474742
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCNC1CCOCC1c1nc(N(C)C)no1
InChIInChI=1S/C10H18N4O2/c1-11-8-4-5-15-6-7(8)9-12-10(13-16-9)14(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyUXNFBPWPMCVFAS-UHFFFAOYSA-N
XLogP0.23
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine (CID 106474742) is N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine is CNC1CCOCC1c1nc(N(C)C)no1.
What is the InChIKey of N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is UXNFBPWPMCVFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-11-8-4-5-15-6-7(8)9-12-10(13-16-9)14(2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 226.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-(methylamino)oxan-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 106474742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).