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

C11H17N5O2 — CID 94812095

IUPAC(1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCc1noc(CN(C)[C@@H](C)c2nc(C)no2)n1
InChIInChI=1S/C11H17N5O2/c1-5-9-13-10(17-15-9)6-16(4)7(2)11-12-8(3)14-18-11/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyCAGUDRPNLWCKRC-ZETCQYMHSA-N
MW251.29 g/mol
LogP1.52
Rot. Bonds5

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

(1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 94812095) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID94812095
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCc1noc(CN(C)[C@@H](C)c2nc(C)no2)n1
InChIInChI=1S/C11H17N5O2/c1-5-9-13-10(17-15-9)6-16(4)7(2)11-12-8(3)14-18-11/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyCAGUDRPNLWCKRC-ZETCQYMHSA-N
XLogP1.52
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 94812095) is (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is CCc1noc(CN(C)[C@@H](C)c2nc(C)no2)n1.
What is the InChIKey of (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CAGUDRPNLWCKRC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-5-9-13-10(17-15-9)6-16(4)7(2)11-12-8(3)14-18-11/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 251.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 94812095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).