1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C13H21N5O2S — CID 104637010

IUPAC1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCCOCC(C)(N)c1noc(-c2snnc2CCC)n1
InChIInChI=1S/C13H21N5O2S/c1-4-6-9-10(21-18-16-9)11-15-12(17-20-11)13(3,14)8-19-7-5-2/h4-8,14H2,1-3H3
InChIKeySRUUWKBFNTUOKJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.14
Rot. Bonds8

About 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104637010) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104637010
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCCCOCC(C)(N)c1noc(-c2snnc2CCC)n1
InChIInChI=1S/C13H21N5O2S/c1-4-6-9-10(21-18-16-9)11-15-12(17-20-11)13(3,14)8-19-7-5-2/h4-8,14H2,1-3H3
InChIKeySRUUWKBFNTUOKJ-UHFFFAOYSA-N
XLogP2.14
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637014
2-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637128
2-[5-(5-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114822781
2-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637034
2-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 106689504
2-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104786458
2-[5-(4-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637021
2-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107940756
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637070
2-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 107525580
2-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104636965
2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104637010) is 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CCCOCC(C)(N)c1noc(-c2snnc2CCC)n1.
What is the InChIKey of 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is SRUUWKBFNTUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-4-6-9-10(21-18-16-9)11-15-12(17-20-11)13(3,14)8-19-7-5-2/h4-8,14H2,1-3H3.
What are the key properties of 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 311.41 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104637010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).