[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone

C20H22ClN3O2 — CID 166781261

IUPAC[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
SMILESNC1CCN(c2ccc(C(=O)N3CCOC3c3ccccc3)c(Cl)c2)C1
InChIInChI=1S/C20H22ClN3O2/c21-18-12-16(23-9-8-15(22)13-23)6-7-17(18)19(25)24-10-11-26-20(24)14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13,22H2
InChIKeyWFGYICZHMNQEFR-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.05
Rot. Bonds3

About [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone

[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 166781261) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
PubChem CID166781261
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone
SMILESNC1CCN(c2ccc(C(=O)N3CCOC3c3ccccc3)c(Cl)c2)C1
InChIInChI=1S/C20H22ClN3O2/c21-18-12-16(23-9-8-15(22)13-23)6-7-17(18)19(25)24-10-11-26-20(24)14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13,22H2
InChIKeyWFGYICZHMNQEFR-UHFFFAOYSA-N
XLogP3.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone (CID 166781261) is [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone is NC1CCN(c2ccc(C(=O)N3CCOC3c3ccccc3)c(Cl)c2)C1.
What is the InChIKey of [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is WFGYICZHMNQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-12-16(23-9-8-15(22)13-23)6-7-17(18)19(25)24-10-11-26-20(24)14-4-2-1-3-5-14/h1-7,12,15,20H,8-11,13,22H2.
What are the key properties of [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone?
[4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 371.87 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopyrrolidin-1-yl)-2-chlorophenyl]-(2-phenyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 166781261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).