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

C11H15N3OS — CID 47010394

IUPACN-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H15N3OS/c1-3-14(4-2)7-10-12-11(13-15-10)9-5-6-16-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNBDFRBDLHJMTHM-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.64
Rot. Bonds5

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

N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 47010394) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID47010394
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H15N3OS/c1-3-14(4-2)7-10-12-11(13-15-10)9-5-6-16-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNBDFRBDLHJMTHM-UHFFFAOYSA-N
XLogP2.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 47010394) is N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN(CC)Cc1nc(-c2ccsc2)no1.
What is the InChIKey of N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is NBDFRBDLHJMTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-14(4-2)7-10-12-11(13-15-10)9-5-6-16-8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 47010394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).