[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

C16H18N2O4 — CID 132776385

IUPAC[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCOC1(COc2ccccc2)CCN(C(=O)c2cnco2)C1
InChIInChI=1S/C16H18N2O4/c1-20-16(11-21-13-5-3-2-4-6-13)7-8-18(10-16)15(19)14-9-17-12-22-14/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyQHYWSSZFGURXGB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.98
Rot. Bonds5

About [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 132776385) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID132776385
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCOC1(COc2ccccc2)CCN(C(=O)c2cnco2)C1
InChIInChI=1S/C16H18N2O4/c1-20-16(11-21-13-5-3-2-4-6-13)7-8-18(10-16)15(19)14-9-17-12-22-14/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyQHYWSSZFGURXGB-UHFFFAOYSA-N
XLogP1.98
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
1-[4-(1,3-oxazole-5-carbonyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]ethanone
CID 110258755
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 132764030
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
1-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 132764475
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124966929
4-fluoro-N-[(3R)-3-(2-methoxyethyl)-1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-yl]benzamide
CID 164642585

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 132776385) is [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is COC1(COc2ccccc2)CCN(C(=O)c2cnco2)C1.
What is the InChIKey of [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is QHYWSSZFGURXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-16(11-21-13-5-3-2-4-6-13)7-8-18(10-16)15(19)14-9-17-12-22-14/h2-6,9,12H,7-8,10-11H2,1H3.
What are the key properties of [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 132776385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).