[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C17H20N2O4 — CID 70755395

IUPAC[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(OC)c(C2CCN(C(=O)c3cc(C)on3)C2)c1
InChIInChI=1S/C17H20N2O4/c1-11-8-15(18-23-11)17(20)19-7-6-12(10-19)14-9-13(21-2)4-5-16(14)22-3/h4-5,8-9,12H,6-7,10H2,1-3H3
InChIKeyDVRNMTSVDOLCRT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.63
Rot. Bonds4

About [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 70755395) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID70755395
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(OC)c(C2CCN(C(=O)c3cc(C)on3)C2)c1
InChIInChI=1S/C17H20N2O4/c1-11-8-15(18-23-11)17(20)19-7-6-12(10-19)14-9-13(21-2)4-5-16(14)22-3/h4-5,8-9,12H,6-7,10H2,1-3H3
InChIKeyDVRNMTSVDOLCRT-UHFFFAOYSA-N
XLogP2.63
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 70783397
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135101627
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 56907864
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 70741338
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70740438
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 70785020
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 50956041

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 70755395) is [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1ccc(OC)c(C2CCN(C(=O)c3cc(C)on3)C2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is DVRNMTSVDOLCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-8-15(18-23-11)17(20)19-7-6-12(10-19)14-9-13(21-2)4-5-16(14)22-3/h4-5,8-9,12H,6-7,10H2,1-3H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 70755395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).