2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone

C15H24N4O3 — CID 96511705

IUPAC2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1
InChIInChI=1S/C15H24N4O3/c1-10(2)14-16-15(18-17-14)12-9-19(5-7-22-12)13(20)8-11-4-3-6-21-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyBNLASEBHXLRSAZ-VXGBXAGGSA-N
MW308.38 g/mol
LogP1.40
Rot. Bonds4

About 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone

2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 96511705) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
PubChem CID96511705
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1
InChIInChI=1S/C15H24N4O3/c1-10(2)14-16-15(18-17-14)12-9-19(5-7-22-12)13(20)8-11-4-3-6-21-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyBNLASEBHXLRSAZ-VXGBXAGGSA-N
XLogP1.40
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511727
(3S)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511729
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752
1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]cyclobutane-1-carbonitrile
CID 97018917
2-(1-propan-2-ylpyrazol-3-yl)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96512700
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 96511733
6-methyl-2-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]pyridazin-3-one
CID 96511755
1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 71872857
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
imidazo[1,2-a]pyrazin-8-yl-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512697
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone (CID 96511705) is 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone is CC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)n1.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is BNLASEBHXLRSAZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)14-16-15(18-17-14)12-9-19(5-7-22-12)13(20)8-11-4-3-6-21-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone?
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 308.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 96511705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).