(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

C15H24N6O2 — CID 129335547

IUPAC(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCCn1cnnc1[C@@H]1CN([C@H](C)c2nc(C(C)C)no2)CCO1
InChIInChI=1S/C15H24N6O2/c1-5-20-9-16-18-14(20)12-8-21(6-7-22-12)11(4)15-17-13(10(2)3)19-23-15/h9-12H,5-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyIUESLHFTLJIDJZ-NEPJUHHUSA-N
MW320.40 g/mol
LogP1.94
Rot. Bonds5

About (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 129335547) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID129335547
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCCn1cnnc1[C@@H]1CN([C@H](C)c2nc(C(C)C)no2)CCO1
InChIInChI=1S/C15H24N6O2/c1-5-20-9-16-18-14(20)12-8-21(6-7-22-12)11(4)15-17-13(10(2)3)19-23-15/h9-12H,5-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyIUESLHFTLJIDJZ-NEPJUHHUSA-N
XLogP1.94
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 36875201
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
CID 154755868
(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 51671941
(2R)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 100841752
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
CID 129343525
(2R)-2-phenyl-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 94806550
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47054230
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129332725

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 129335547) is (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CCn1cnnc1[C@@H]1CN([C@H](C)c2nc(C(C)C)no2)CCO1.
What is the InChIKey of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is IUESLHFTLJIDJZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-5-20-9-16-18-14(20)12-8-21(6-7-22-12)11(4)15-17-13(10(2)3)19-23-15/h9-12H,5-8H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 320.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 129335547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).