N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine

C10H13N3OS — CID 3870363

IUPACN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-2-5-11-7-9-12-13-10(14-9)8-4-3-6-15-8/h3-4,6,11H,2,5,7H2,1H3
InChIKeyXUSFHDRSBSMRSS-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.30
Rot. Bonds5

About N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine

N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (PubChem CID 3870363) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
PubChem CID3870363
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-2-5-11-7-9-12-13-10(14-9)8-4-3-6-15-8/h3-4,6,11H,2,5,7H2,1H3
InChIKeyXUSFHDRSBSMRSS-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine (CID 3870363) is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is CCCNCc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
The InChIKey is XUSFHDRSBSMRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-5-11-7-9-12-13-10(14-9)8-4-3-6-15-8/h3-4,6,11H,2,5,7H2,1H3.
What are the key properties of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine?
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine has a molecular weight of 223.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 3870363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).