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

C14H27N3OS — CID 65134533

IUPACN-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(CSCCC)no1
InChIInChI=1S/C14H27N3OS/c1-5-8-15-11(4)12(7-3)14-16-13(17-18-14)10-19-9-6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyAKCTXNOCIYKHQM-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.59
Rot. Bonds10

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

N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65134533) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65134533
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(CSCCC)no1
InChIInChI=1S/C14H27N3OS/c1-5-8-15-11(4)12(7-3)14-16-13(17-18-14)10-19-9-6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyAKCTXNOCIYKHQM-UHFFFAOYSA-N
XLogP3.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 71990183
5-(3-Methylsulfanylmethyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 10727260
N-methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350373
N-ethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350374
N-propyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350375
3-(2-Methylpropylsulfanylmethyl)-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 65138277
5-(Thiomorpholin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 66444463
5-(Thiomorpholin-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 79954047
N-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79964443
N-ethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79964611
N-propyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 79965130
N-ethyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82007728

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65134533) is N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCNC(C)C(CC)c1nc(CSCCC)no1.
What is the InChIKey of N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is AKCTXNOCIYKHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-8-15-11(4)12(7-3)14-16-13(17-18-14)10-19-9-6-2/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 285.46 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65134533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).