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

C11H20N4O — CID 97188205

IUPACN-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC[C@@H]2CCCCCN2)o1
InChIInChI=1S/C11H20N4O/c1-2-10-14-15-11(16-10)13-8-9-6-4-3-5-7-12-9/h9,12H,2-8H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyLKVAHJHLQOEIHI-VIFPVBQESA-N
MW224.31 g/mol
LogP1.58
Rot. Bonds4

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

N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 97188205) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID97188205
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(NC[C@@H]2CCCCCN2)o1
InChIInChI=1S/C11H20N4O/c1-2-10-14-15-11(16-10)13-8-9-6-4-3-5-7-12-9/h9,12H,2-8H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyLKVAHJHLQOEIHI-VIFPVBQESA-N
XLogP1.58
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 97188205) is N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(NC[C@@H]2CCCCCN2)o1.
What is the InChIKey of N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LKVAHJHLQOEIHI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-10-14-15-11(16-10)13-8-9-6-4-3-5-7-12-9/h9,12H,2-8H2,1H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-azepan-2-yl]methyl]-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97188205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).