[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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Related Compounds

[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane
CID 156874711
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
4-(3-aminopyrrolidin-1-yl)-2-(trifluoromethyl)benzamide
CID 55029458
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
4-(3-aminopyrrolidin-1-yl)benzoyl chloride
CID 163480008

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).