(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone

C20H23N3O3 — CID 100753527

IUPAC(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@@H](Oc2cnccn2)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23N3O3/c24-19(20(7-12-25-13-8-20)16-4-2-1-3-5-16)23-11-6-17(15-23)26-18-14-21-9-10-22-18/h1-5,9-10,14,17H,6-8,11-13,15H2/t17-/m1/s1
InChIKeyCRBBWLFPHGUBLT-QGZVFWFLSA-N
MW353.42 g/mol
LogP2.20
Rot. Bonds4

About (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone

(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 100753527) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
PubChem CID100753527
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@@H](Oc2cnccn2)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H23N3O3/c24-19(20(7-12-25-13-8-20)16-4-2-1-3-5-16)23-11-6-17(15-23)26-18-14-21-9-10-22-18/h1-5,9-10,14,17H,6-8,11-13,15H2/t17-/m1/s1
InChIKeyCRBBWLFPHGUBLT-QGZVFWFLSA-N
XLogP2.20
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755061
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
benzyl 3-pyrazin-2-yloxypyrrolidine-1-carboxylate
CID 90636253
(E)-3-phenyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)prop-2-en-1-one
CID 90636129
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 155800929
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone (CID 100753527) is (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone is O=C(N1CC[C@@H](Oc2cnccn2)C1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is CRBBWLFPHGUBLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(20(7-12-25-13-8-20)16-4-2-1-3-5-16)23-11-6-17(15-23)26-18-14-21-9-10-22-18/h1-5,9-10,14,17H,6-8,11-13,15H2/t17-/m1/s1.
What are the key properties of (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100753527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).