2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone

C16H18N2O3 — CID 22560806

IUPAC2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(-c2coc(CC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-13-6-4-12(5-7-13)14-11-21-15(17-14)10-16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3
InChIKeyNWWQWRPERQAMLN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone

2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 22560806) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID22560806
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccc(-c2coc(CC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-13-6-4-12(5-7-13)14-11-21-15(17-14)10-16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3
InChIKeyNWWQWRPERQAMLN-UHFFFAOYSA-N
XLogP2.52
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 42628049
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 92687613
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-(azepan-1-yl)-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 1146103
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 4826240
5-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135094494
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-1-pyrrolidin-1-ylethanone
CID 5308761
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone (CID 22560806) is 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone is COc1ccc(-c2coc(CC(=O)N3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NWWQWRPERQAMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-13-6-4-12(5-7-13)14-11-21-15(17-14)10-16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 286.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 22560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).