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

C9H13N3O2S — CID 79969966

IUPACN-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
SMILESC1CSCC(c2noc(NC3CC3)n2)O1
InChIInChI=1S/C9H13N3O2S/c1-2-6(1)10-9-11-8(12-14-9)7-5-15-4-3-13-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyCZFLKVCACVHETJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.45
Rot. Bonds3

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

N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 79969966) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID79969966
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
SMILESC1CSCC(c2noc(NC3CC3)n2)O1
InChIInChI=1S/C9H13N3O2S/c1-2-6(1)10-9-11-8(12-14-9)7-5-15-4-3-13-7/h6-7H,1-5H2,(H,10,11,12)
InChIKeyCZFLKVCACVHETJ-UHFFFAOYSA-N
XLogP1.45
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-amine
CID 65351537
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 79963502
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79968588
N-cyclopropyl-3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-amine
CID 106601961
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 79968592
N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79962578
2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 79968590
2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 79966199
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200505

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine (CID 79969966) is N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine is C1CSCC(c2noc(NC3CC3)n2)O1.
What is the InChIKey of N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is CZFLKVCACVHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-2-6(1)10-9-11-8(12-14-9)7-5-15-4-3-13-7/h6-7H,1-5H2,(H,10,11,12).
What are the key properties of N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 227.29 g/mol, XLogP of 1.45, 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-oxathian-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 79969966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).