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

C19H22N2O4 — CID 95194020

IUPAC[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
SMILESCOc1ccc(OCc2nc(C(=O)N3CC=C[C@@H]3C(C)C)co2)cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)17-5-4-10-21(17)19(22)16-11-25-18(20-16)12-24-15-8-6-14(23-3)7-9-15/h4-9,11,13,17H,10,12H2,1-3H3/t17-/m1/s1
InChIKeyGIRNKHZUOUJIRS-QGZVFWFLSA-N
MW342.40 g/mol
LogP3.30
Rot. Bonds6

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

[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 95194020) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
PubChem CID95194020
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
SMILESCOc1ccc(OCc2nc(C(=O)N3CC=C[C@@H]3C(C)C)co2)cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)17-5-4-10-21(17)19(22)16-11-25-18(20-16)12-24-15-8-6-14(23-3)7-9-15/h4-9,11,13,17H,10,12H2,1-3H3/t17-/m1/s1
InChIKeyGIRNKHZUOUJIRS-QGZVFWFLSA-N
XLogP3.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.30
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

[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 95228505
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
[(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
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95219193
(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
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
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
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone (CID 95194020) is [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone is COc1ccc(OCc2nc(C(=O)N3CC=C[C@@H]3C(C)C)co2)cc1.
What is the InChIKey of [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is GIRNKHZUOUJIRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)17-5-4-10-21(17)19(22)16-11-25-18(20-16)12-24-15-8-6-14(23-3)7-9-15/h4-9,11,13,17H,10,12H2,1-3H3/t17-/m1/s1.
What are the key properties of [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone?
[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 95194020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).