[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone

C15H15N7O3 — CID 176989467

IUPAC[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
SMILESNCO[C@@H]1CN1C(=O)c1coc(Cc2ccc(-n3nccn3)cn2)n1
InChIInChI=1S/C15H15N7O3/c16-9-25-14-7-21(14)15(23)12-8-24-13(20-12)5-10-1-2-11(6-17-10)22-18-3-4-19-22/h1-4,6,8,14H,5,7,9,16H2/t14-,21?/m1/s1
InChIKeyPGUNRTRDEZBTAF-CKAQCJTGSA-N
MW341.33 g/mol
LogP-0.04
Rot. Bonds6

About [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone

[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 176989467) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID176989467
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Name[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
SMILESNCO[C@@H]1CN1C(=O)c1coc(Cc2ccc(-n3nccn3)cn2)n1
InChIInChI=1S/C15H15N7O3/c16-9-25-14-7-21(14)15(23)12-8-24-13(20-12)5-10-1-2-11(6-17-10)22-18-3-4-19-22/h1-4,6,8,14H,5,7,9,16H2/t14-,21?/m1/s1
InChIKeyPGUNRTRDEZBTAF-CKAQCJTGSA-N
XLogP-0.04
TPSA124.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989280
N-(1,3-thiazol-2-yl)-1-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carbonyl]azetidine-3-carboxamide
CID 176989202
N-(1-hydroxycyclopropyl)-2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 176989599
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989223
[2-[[5-(1,5-dihydrotriazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]-[3-hydroxy-2-(trifluoromethyl)azetidin-1-yl]methanone
CID 176989632
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[2-[[6-(triazol-2-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989168
[(2S,3S)-3-[[3-hydroxy-1-[2-[[6-(1H-pyrazol-4-yl)pyridazin-3-yl]methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]methoxy]-2-methylazetidin-1-yl]-[2-[[6-(triazol-2-yl)pyridazin-3-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989319
(3-hydroxy-2-methylazetidin-1-yl)-[2-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone
CID 176989357
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989292
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134708851
[(2S,3S)-3-hydroxy-2-methylazetidin-1-yl]-[2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 176989440
2-[(5-amino-2-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 176989327

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone (CID 176989467) is [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone is NCO[C@@H]1CN1C(=O)c1coc(Cc2ccc(-n3nccn3)cn2)n1.
What is the InChIKey of [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is PGUNRTRDEZBTAF-CKAQCJTGSA-N. The full InChI is InChI=1S/C15H15N7O3/c16-9-25-14-7-21(14)15(23)12-8-24-13(20-12)5-10-1-2-11(6-17-10)22-18-3-4-19-22/h1-4,6,8,14H,5,7,9,16H2/t14-,21?/m1/s1.
What are the key properties of [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone?
[(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 341.33 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethoxy)aziridin-1-yl]-[2-[[5-(triazol-2-yl)-2-pyridinyl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 176989467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).