3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

C17H22N2O4 — CID 94599769

IUPAC3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2CCCN2C(=O)CCN2CCOC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-22-14-6-4-13(5-7-14)15-3-2-9-19(15)16(20)8-10-18-11-12-23-17(18)21/h4-7,15H,2-3,8-12H2,1H3/t15-/m0/s1
InChIKeyREAVGJNHXADNLE-HNNXBMFYSA-N
MW318.37 g/mol
LogP2.20
Rot. Bonds5

About 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (PubChem CID 94599769) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
PubChem CID94599769
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H]2CCCN2C(=O)CCN2CCOC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-22-14-6-4-13(5-7-14)15-3-2-9-19(15)16(20)8-10-18-11-12-23-17(18)21/h4-7,15H,2-3,8-12H2,1H3/t15-/m0/s1
InChIKeyREAVGJNHXADNLE-HNNXBMFYSA-N
XLogP2.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 51254000
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46693300
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
CID 61327670
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9462521

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (CID 94599769) is 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is COc1ccc([C@@H]2CCCN2C(=O)CCN2CCOC2=O)cc1.
What is the InChIKey of 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The InChIKey is REAVGJNHXADNLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-14-6-4-13(5-7-14)15-3-2-9-19(15)16(20)8-10-18-11-12-23-17(18)21/h4-7,15H,2-3,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one has a molecular weight of 318.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 94599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).