N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine

C9H13N3O3 — CID 65351537

IUPACN-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESC1COC(c2noc(NC3CC3)n2)CO1
InChIInChI=1S/C9H13N3O3/c1-2-6(1)10-9-11-8(12-15-9)7-5-13-3-4-14-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyOBFXALFULUSQSY-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.73
Rot. Bonds3

About N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 65351537) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID65351537
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESC1COC(c2noc(NC3CC3)n2)CO1
InChIInChI=1S/C9H13N3O3/c1-2-6(1)10-9-11-8(12-15-9)7-5-13-3-4-14-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyOBFXALFULUSQSY-UHFFFAOYSA-N
XLogP0.73
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine (CID 65351537) is N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine is C1COC(c2noc(NC3CC3)n2)CO1.
What is the InChIKey of N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is OBFXALFULUSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-6(1)10-9-11-8(12-15-9)7-5-13-3-4-14-7/h6-7H,1-5H2,(H,10,11,12).
What are the key properties of N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 211.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65351537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).