1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone

C13H22N4O3 — CID 97195476

IUPAC1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](CNc2nnc(C(C)(C)C)o2)C1
InChIInChI=1S/C13H22N4O3/c1-9(18)17-5-6-19-10(8-17)7-14-12-16-15-11(20-12)13(2,3)4/h10H,5-8H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyKZMUJSCWYPYOEP-JTQLQIEISA-N
MW282.34 g/mol
LogP1.03
Rot. Bonds3

About 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone

1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone (PubChem CID 97195476) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
PubChem CID97195476
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@@H](CNc2nnc(C(C)(C)C)o2)C1
InChIInChI=1S/C13H22N4O3/c1-9(18)17-5-6-19-10(8-17)7-14-12-16-15-11(20-12)13(2,3)4/h10H,5-8H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyKZMUJSCWYPYOEP-JTQLQIEISA-N
XLogP1.03
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
1-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 75615745
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-[[[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]ethanone
CID 135089139
1-[2-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]morpholin-4-yl]ethanone
CID 126918327
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 56714322
N-[(4-acetylmorpholin-2-yl)methyl]-N-phenylpropanamide;1-[2-(anilinomethyl)morpholin-4-yl]ethanone;propanoyl chloride
CID 90979805
1-[(2S)-2-[[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]methyl]morpholin-4-yl]ethanone
CID 171763604
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone (CID 97195476) is 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@@H](CNc2nnc(C(C)(C)C)o2)C1.
What is the InChIKey of 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is KZMUJSCWYPYOEP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(18)17-5-6-19-10(8-17)7-14-12-16-15-11(20-12)13(2,3)4/h10H,5-8H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone?
1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 282.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 97195476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).