(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine

C11H15N3OS — CID 115285006

IUPAC(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
SMILESCCCCc1noc(C(N)c2cccs2)n1
InChIInChI=1S/C11H15N3OS/c1-2-3-6-9-13-11(15-14-9)10(12)8-5-4-7-16-8/h4-5,7,10H,2-3,6,12H2,1H3
InChIKeyFTPYBEYNQWVWGV-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.52
Rot. Bonds5

About (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine

(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine (PubChem CID 115285006) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
PubChem CID115285006
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
SMILESCCCCc1noc(C(N)c2cccs2)n1
InChIInChI=1S/C11H15N3OS/c1-2-3-6-9-13-11(15-14-9)10(12)8-5-4-7-16-8/h4-5,7,10H,2-3,6,12H2,1H3
InChIKeyFTPYBEYNQWVWGV-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923
[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285007
[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 113278812
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 87022264
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285012
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024
3-butyl-5-[(1S)-1-chloroethyl]-1,2,4-oxadiazole
CID 25490822
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115285009
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284891

Frequently Asked Questions

What is the IUPAC name of (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine (CID 115285006) is (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine is CCCCc1noc(C(N)c2cccs2)n1.
What is the InChIKey of (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
The InChIKey is FTPYBEYNQWVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-3-6-9-13-11(15-14-9)10(12)8-5-4-7-16-8/h4-5,7,10H,2-3,6,12H2,1H3.
What are the key properties of (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine?
(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine has a molecular weight of 237.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 115285006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).