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

C11H19N3O — CID 166260451

IUPACN-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@@H](C)C2CCCC2)o1
InChIInChI=1S/C11H19N3O/c1-3-10-13-14-11(15-10)12-8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyMCSLCBNASTYSEX-QMMMGPOBSA-N
MW209.29 g/mol
LogP2.62
Rot. Bonds4

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

N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 166260451) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID166260451
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(N[C@@H](C)C2CCCC2)o1
InChIInChI=1S/C11H19N3O/c1-3-10-13-14-11(15-10)12-8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-/m0/s1
InChIKeyMCSLCBNASTYSEX-QMMMGPOBSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine (CID 166260451) is N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine is CCc1nnc(N[C@@H](C)C2CCCC2)o1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MCSLCBNASTYSEX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-13-14-11(15-10)12-8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine?
N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-5-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166260451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).