N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine

C10H17N3O2 — CID 167909104

IUPACN-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCCNC1(c2nc(C)no2)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-3-11-10(4-6-14-7-5-10)9-12-8(2)13-15-9/h11H,3-7H2,1-2H3
InChIKeyXIUTWHUPGNEGQE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.99
Rot. Bonds3

About N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine

N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (PubChem CID 167909104) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
PubChem CID167909104
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine
SMILESCCNC1(c2nc(C)no2)CCOCC1
InChIInChI=1S/C10H17N3O2/c1-3-11-10(4-6-14-7-5-10)9-12-8(2)13-15-9/h11H,3-7H2,1-2H3
InChIKeyXIUTWHUPGNEGQE-UHFFFAOYSA-N
XLogP0.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The IUPAC name of N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine (CID 167909104) is N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is CCNC1(c2nc(C)no2)CCOCC1.
What is the InChIKey of N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
The InChIKey is XIUTWHUPGNEGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-11-10(4-6-14-7-5-10)9-12-8(2)13-15-9/h11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine?
N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine has a molecular weight of 211.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)oxan-4-amine is sourced from PubChem (CID 167909104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).