[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C16H23N5O3 — CID 129332725

IUPAC[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCC[C@@H](C)c1cc(C(=O)N2CCO[C@H](c3nncn3CC)C2)on1
InChIInChI=1S/C16H23N5O3/c1-4-11(3)12-8-13(24-19-12)16(22)21-6-7-23-14(9-21)15-18-17-10-20(15)5-2/h8,10-11,14H,4-7,9H2,1-3H3/t11-,14+/m1/s1
InChIKeyLGXQGGBAYLPXEX-RISCZKNCSA-N
MW333.39 g/mol
LogP2.01
Rot. Bonds5

About [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 129332725) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID129332725
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCC[C@@H](C)c1cc(C(=O)N2CCO[C@H](c3nncn3CC)C2)on1
InChIInChI=1S/C16H23N5O3/c1-4-11(3)12-8-13(24-19-12)16(22)21-6-7-23-14(9-21)15-18-17-10-20(15)5-2/h8,10-11,14H,4-7,9H2,1-3H3/t11-,14+/m1/s1
InChIKeyLGXQGGBAYLPXEX-RISCZKNCSA-N
XLogP2.01
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
CID 129414739
(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338513
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 129330839
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 129328127
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [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) is [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CC[C@@H](C)c1cc(C(=O)N2CCO[C@H](c3nncn3CC)C2)on1.
What is the InChIKey of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is LGXQGGBAYLPXEX-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-11(3)12-8-13(24-19-12)16(22)21-6-7-23-14(9-21)15-18-17-10-20(15)5-2/h8,10-11,14H,4-7,9H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129332725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).