2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C14H18ClN5O3 — CID 96996858

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc([C@@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)n[nH]1
InChIInChI=1S/C14H18ClN5O3/c1-3-11-16-14(18-17-11)10-7-20(4-5-22-10)12(21)6-9-8(2)19-23-13(9)15/h10H,3-7H2,1-2H3,(H,16,17,18)/t10-/m0/s1
InChIKeyWKPAZRUSAAQTKC-JTQLQIEISA-N
MW339.78 g/mol
LogP1.46
Rot. Bonds4

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 96996858) has the molecular formula C14H18ClN5O3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID96996858
Molecular FormulaC14H18ClN5O3
Molecular Weight339.78 g/mol
Exact Mass339.11
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc([C@@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)n[nH]1
InChIInChI=1S/C14H18ClN5O3/c1-3-11-16-14(18-17-11)10-7-20(4-5-22-10)12(21)6-9-8(2)19-23-13(9)15/h10H,3-7H2,1-2H3,(H,16,17,18)/t10-/m0/s1
InChIKeyWKPAZRUSAAQTKC-JTQLQIEISA-N
XLogP1.46
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996893
2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71928809
(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928757
(3S)-1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96996811
1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 96996840
2-(benzotriazol-1-yl)-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167874526
2-(6-methyl-3-pyridinyl)-1-[(2R)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96511839
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 125000690
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 96996858) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is CCc1nc([C@@H]2CN(C(=O)Cc3c(C)noc3Cl)CCO2)n[nH]1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is WKPAZRUSAAQTKC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18ClN5O3/c1-3-11-16-14(18-17-11)10-7-20(4-5-22-10)12(21)6-9-8(2)19-23-13(9)15/h10H,3-7H2,1-2H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 339.78 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 96996858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).