[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone

C18H20N2O4 — CID 95228505

IUPAC[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCC[C@@H]1C=CCN1C(=O)c1coc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C18H20N2O4/c1-3-13-5-4-10-20(13)18(21)16-11-24-17(19-16)12-23-15-8-6-14(22-2)7-9-15/h4-9,11,13H,3,10,12H2,1-2H3/t13-/m1/s1
InChIKeyFVEGXQPRMNMYNH-CYBMUJFWSA-N
MW328.37 g/mol
LogP3.05
Rot. Bonds6

About [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone

[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 95228505) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID95228505
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESCC[C@@H]1C=CCN1C(=O)c1coc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C18H20N2O4/c1-3-13-5-4-10-20(13)18(21)16-11-24-17(19-16)12-23-15-8-6-14(22-2)7-9-15/h4-9,11,13H,3,10,12H2,1-2H3/t13-/m1/s1
InChIKeyFVEGXQPRMNMYNH-CYBMUJFWSA-N
XLogP3.05
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
CID 95194020
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56713621
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56720361
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95219193
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95217264
(9aS)-2-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95201666
N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 72881785
N-[(2S)-1-hydroxybutan-2-yl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56709380
[2-[(4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 25446692

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone (CID 95228505) is [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone is CC[C@@H]1C=CCN1C(=O)c1coc(COc2ccc(OC)cc2)n1.
What is the InChIKey of [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is FVEGXQPRMNMYNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-13-5-4-10-20(13)18(21)16-11-24-17(19-16)12-23-15-8-6-14(22-2)7-9-15/h4-9,11,13H,3,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone?
[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 95228505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).