1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine

C21H26N2O2 — CID 143800642

IUPAC1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine
SMILESO=C1NCCO1.c1ccc(-c2ccc(CCN3CCCC3)cc2)cc1
InChIInChI=1S/C18H21N.C3H5NO2/c1-2-6-17(7-3-1)18-10-8-16(9-11-18)12-15-19-13-4-5-14-19;5-3-4-1-2-6-3/h1-3,6-11H,4-5,12-15H2;1-2H2,(H,4,5)
InChIKeyBRMBVNKWEJFFGY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.72
Rot. Bonds4

About 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine

1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine (PubChem CID 143800642) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine
PubChem CID143800642
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine
SMILESO=C1NCCO1.c1ccc(-c2ccc(CCN3CCCC3)cc2)cc1
InChIInChI=1S/C18H21N.C3H5NO2/c1-2-6-17(7-3-1)18-10-8-16(9-11-18)12-15-19-13-4-5-14-19;5-3-4-1-2-6-3/h1-3,6-11H,4-5,12-15H2;1-2H2,(H,4,5)
InChIKeyBRMBVNKWEJFFGY-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid
CID 69459100
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
8-(2-phenylethyl)-4-oxa-8,13-diazaspiro[2.11]tetradecane
CID 134424966
1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972
methane;4-(2-phenylethyl)morpholine
CID 143698819
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
3-[4-(2-morpholin-4-ylethyl)phenyl]phenol
CID 70092617
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
(6S)-6-benzyl-1-[[1-[2-(4-phenylphenyl)ethyl]piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281007
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine?
The IUPAC name of 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine (CID 143800642) is 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine is O=C1NCCO1.c1ccc(-c2ccc(CCN3CCCC3)cc2)cc1.
What is the InChIKey of 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine?
The InChIKey is BRMBVNKWEJFFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.C3H5NO2/c1-2-6-17(7-3-1)18-10-8-16(9-11-18)12-15-19-13-4-5-14-19;5-3-4-1-2-6-3/h1-3,6-11H,4-5,12-15H2;1-2H2,(H,4,5).
What are the key properties of 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine?
1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine has a molecular weight of 338.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one;1-[2-(4-phenylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 143800642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).