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

C16H25N3OS — CID 87022264

IUPACN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCCc1noc(CNC(c2cccs2)C(C)(C)C)n1
InChIInChI=1S/C16H25N3OS/c1-5-6-9-13-18-14(20-19-13)11-17-15(16(2,3)4)12-8-7-10-21-12/h7-8,10,15,17H,5-6,9,11H2,1-4H3
InChIKeyPUVWKGFUZUUFJG-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.35
Rot. Bonds7

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

N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 87022264) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
PubChem CID87022264
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCCc1noc(CNC(c2cccs2)C(C)(C)C)n1
InChIInChI=1S/C16H25N3OS/c1-5-6-9-13-18-14(20-19-13)11-17-15(16(2,3)4)12-8-7-10-21-12/h7-8,10,15,17H,5-6,9,11H2,1-4H3
InChIKeyPUVWKGFUZUUFJG-UHFFFAOYSA-N
XLogP4.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine (CID 87022264) is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine is CCCCc1noc(CNC(c2cccs2)C(C)(C)C)n1.
What is the InChIKey of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is PUVWKGFUZUUFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-5-6-9-13-18-14(20-19-13)11-17-15(16(2,3)4)12-8-7-10-21-12/h7-8,10,15,17H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine?
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 307.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 87022264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).