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

C15H18N4O3 — CID 124976639

IUPAC[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccno1
InChIInChI=1S/C15H18N4O3/c1-11-13(17-7-6-16-11)3-2-12-10-21-9-8-19(12)15(20)14-4-5-18-22-14/h4-7,12H,2-3,8-10H2,1H3/t12-/m1/s1
InChIKeyLHACDVOBKCKBRO-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.25
Rot. Bonds4

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

[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 124976639) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID124976639
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccno1
InChIInChI=1S/C15H18N4O3/c1-11-13(17-7-6-16-11)3-2-12-10-21-9-8-19(12)15(20)14-4-5-18-22-14/h4-7,12H,2-3,8-10H2,1H3/t12-/m1/s1
InChIKeyLHACDVOBKCKBRO-GFCCVEGCSA-N
XLogP1.25
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 124970486
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132338
2H-benzotriazol-5-yl-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132334
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124956604
(1-ethyl-3-methylpyrazol-4-yl)-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124957997
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
(1-ethyl-5-methylpyrazol-3-yl)-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 110132349
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
2-cyclopentyl-1-[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124945965
2-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124941983
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 125026964

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone (CID 124976639) is [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone is Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccno1.
What is the InChIKey of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is LHACDVOBKCKBRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-13(17-7-6-16-11)3-2-12-10-21-9-8-19(12)15(20)14-4-5-18-22-14/h4-7,12H,2-3,8-10H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone?
[(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 124976639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).