[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

C23H20N4O4 — CID 90637498

IUPAC[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESCOc1cncc(OC2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)n1
InChIInChI=1S/C23H20N4O4/c1-29-20-12-24-13-21(25-20)30-17-9-10-27(14-17)23(28)16-7-8-19-18(11-16)22(31-26-19)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3
InChIKeyLUVHTSWIBCACJV-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.59
Rot. Bonds5

About [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone (PubChem CID 90637498) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
PubChem CID90637498
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
SMILESCOc1cncc(OC2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)n1
InChIInChI=1S/C23H20N4O4/c1-29-20-12-24-13-21(25-20)30-17-9-10-27(14-17)23(28)16-7-8-19-18(11-16)22(31-26-19)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3
InChIKeyLUVHTSWIBCACJV-UHFFFAOYSA-N
XLogP3.59
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122258492
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 119100475
(3-methylsulfonylpyrrolidin-1-yl)-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90586999
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90637267
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 90637364
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9265987
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The IUPAC name of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone (CID 90637498) is [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone.
What is the SMILES notation for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The canonical SMILES for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone is COc1cncc(OC2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)n1.
What is the InChIKey of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
The InChIKey is LUVHTSWIBCACJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-29-20-12-24-13-21(25-20)30-17-9-10-27(14-17)23(28)16-7-8-19-18(11-16)22(31-26-19)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10,14H2,1H3.
What are the key properties of [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone?
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone has a molecular weight of 416.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone is sourced from PubChem (CID 90637498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).