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

C14H23N3O2S — CID 106474605

IUPACN-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCCCNC1CCOCC1c1nc(C2CCCS2)no1
InChIInChI=1S/C14H23N3O2S/c1-2-6-15-11-5-7-18-9-10(11)14-16-13(17-19-14)12-4-3-8-20-12/h10-12,15H,2-9H2,1H3
InChIKeyJWXRQEJYTRNSCW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.51
Rot. Bonds5

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

N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 106474605) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID106474605
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESCCCNC1CCOCC1c1nc(C2CCCS2)no1
InChIInChI=1S/C14H23N3O2S/c1-2-6-15-11-5-7-18-9-10(11)14-16-13(17-19-14)12-4-3-8-20-12/h10-12,15H,2-9H2,1H3
InChIKeyJWXRQEJYTRNSCW-UHFFFAOYSA-N
XLogP2.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 106474605) is N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is CCCNC1CCOCC1c1nc(C2CCCS2)no1.
What is the InChIKey of N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is JWXRQEJYTRNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-6-15-11-5-7-18-9-10(11)14-16-13(17-19-14)12-4-3-8-20-12/h10-12,15H,2-9H2,1H3.
What are the key properties of N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 297.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106474605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).