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

C15H23N3OS — CID 112815205

IUPACN-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H23N3OS/c1-3-5-8-18(9-6-4-2)11-14-16-15(19-17-14)13-7-10-20-12-13/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyMYKVKLNDNFVOCI-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.20
Rot. Bonds9

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

N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine (PubChem CID 112815205) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
PubChem CID112815205
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H23N3OS/c1-3-5-8-18(9-6-4-2)11-14-16-15(19-17-14)13-7-10-20-12-13/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyMYKVKLNDNFVOCI-UHFFFAOYSA-N
XLogP4.20
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine (CID 112815205) is N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine is CCCCN(CCCC)Cc1noc(-c2ccsc2)n1.
What is the InChIKey of N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
The InChIKey is MYKVKLNDNFVOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-5-8-18(9-6-4-2)11-14-16-15(19-17-14)13-7-10-20-12-13/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine?
N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 112815205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).