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

C14H25N3O2S — CID 79970419

IUPACN-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(c1nc(C2CSCCO2)no1)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-15-10(4)12(9(2)3)14-16-13(17-19-14)11-8-20-7-6-18-11/h9-12,15H,5-8H2,1-4H3
InChIKeyGDNNAXCXAVJLLN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.61
Rot. Bonds6

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

N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 79970419) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID79970419
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(c1nc(C2CSCCO2)no1)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-15-10(4)12(9(2)3)14-16-13(17-19-14)11-8-20-7-6-18-11/h9-12,15H,5-8H2,1-4H3
InChIKeyGDNNAXCXAVJLLN-UHFFFAOYSA-N
XLogP2.61
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 79970419) is N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(c1nc(C2CSCCO2)no1)C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is GDNNAXCXAVJLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-15-10(4)12(9(2)3)14-16-13(17-19-14)11-8-20-7-6-18-11/h9-12,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 79970419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).