N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

C10H15N3O2S — CID 79963502

IUPACN-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESC1CSCC(c2noc(CNC3CC3)n2)O1
InChIInChI=1S/C10H15N3O2S/c1-2-7(1)11-5-9-12-10(13-15-9)8-6-16-4-3-14-8/h7-8,11H,1-6H2
InChIKeyLMVHCLYZKPQQIZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.13
Rot. Bonds4

About N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine

N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (PubChem CID 79963502) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
PubChem CID79963502
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
SMILESC1CSCC(c2noc(CNC3CC3)n2)O1
InChIInChI=1S/C10H15N3O2S/c1-2-7(1)11-5-9-12-10(13-15-9)8-6-16-4-3-14-8/h7-8,11H,1-6H2
InChIKeyLMVHCLYZKPQQIZ-UHFFFAOYSA-N
XLogP1.13
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79969966
4-methyl-N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79963698
1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79968588
2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 79966199
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 79965718
1-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 79970418
1,1,1-trifluoro-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79968585
N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367655
1,1,1-trifluoro-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79970410
2-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79966103
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine (CID 79963502) is N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is C1CSCC(c2noc(CNC3CC3)n2)O1.
What is the InChIKey of N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is LMVHCLYZKPQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-7(1)11-5-9-12-10(13-15-9)8-6-16-4-3-14-8/h7-8,11H,1-6H2.
What are the key properties of N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine?
N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 241.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79963502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).