(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine

C14H23N3O2 — CID 70777105

IUPAC(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
SMILESCC[C@H]1COCCN1Cc1noc(C2CCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-12-10-18-8-7-17(12)9-13-15-14(19-16-13)11-5-3-4-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyYRONHULMUWEYLG-LBPRGKRZSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds4

About (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine

(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine (PubChem CID 70777105) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
PubChem CID70777105
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
SMILESCC[C@H]1COCCN1Cc1noc(C2CCCC2)n1
InChIInChI=1S/C14H23N3O2/c1-2-12-10-18-8-7-17(12)9-13-15-14(19-16-13)11-5-3-4-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyYRONHULMUWEYLG-LBPRGKRZSA-N
XLogP2.34
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 63855124
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 61495168
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441926
[4-[(3-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433286
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-ethylmorpholine
CID 62890747
4-cyclopentyl-2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-1H-pyrimidin-6-one
CID 135887646
methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 129393612
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine?
The IUPAC name of (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine (CID 70777105) is (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine.
What is the SMILES notation for (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine?
The canonical SMILES for (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine is CC[C@H]1COCCN1Cc1noc(C2CCCC2)n1.
What is the InChIKey of (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine?
The InChIKey is YRONHULMUWEYLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-12-10-18-8-7-17(12)9-13-15-14(19-16-13)11-5-3-4-6-11/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine?
(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine has a molecular weight of 265.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine is sourced from PubChem (CID 70777105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).