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

C13H19N3OS — CID 65238569

IUPACN-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2cc(C)c(C)s2)o1
InChIInChI=1S/C13H19N3OS/c1-4-6-14-7-5-12-15-16-13(17-12)11-8-9(2)10(3)18-11/h8,14H,4-7H2,1-3H3
InChIKeyYOHXMSKNQGMTLD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.96
Rot. Bonds6

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

N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 65238569) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID65238569
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2cc(C)c(C)s2)o1
InChIInChI=1S/C13H19N3OS/c1-4-6-14-7-5-12-15-16-13(17-12)11-8-9(2)10(3)18-11/h8,14H,4-7H2,1-3H3
InChIKeyYOHXMSKNQGMTLD-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.96
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

[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl][(thiophen-2-yl)methyl]amine
CID 1091728
N-(cyclohexylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083391
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 29000773
N-(4-fluorobenzyl)-2-(5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 52906373
N-(2-fluorobenzyl)-2-(5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 52906378
N-(2-Phenylethyl)-2-[5-(thiophen-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53161967
N-Cycloheptyl-2-[5-(thiophen-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53161972
N-Benzyl-2-[5-(3-methylthiophen-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162110
N-Cycloheptyl-2-[5-(3-methylthiophen-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162116
N-(3-fluorobenzyl)-3-[5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 28768205
N-[(4-Fluorophenyl)methyl]-2-[5-(thiophen-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 39895184
N-[(2-Fluorophenyl)methyl]-2-[5-(thiophen-2-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53161975

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 65238569) is N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(-c2cc(C)c(C)s2)o1.
What is the InChIKey of N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is YOHXMSKNQGMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-6-14-7-5-12-15-16-13(17-12)11-8-9(2)10(3)18-11/h8,14H,4-7H2,1-3H3.
What are the key properties of N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65238569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).