(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine

C20H21ClN2O — CID 141441299

IUPAC(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine
SMILESClc1ccc2[nH]cc(CCN3COC[C@@H]3Cc3ccccc3)c2c1
InChIInChI=1S/C20H21ClN2O/c21-17-6-7-20-19(11-17)16(12-22-20)8-9-23-14-24-13-18(23)10-15-4-2-1-3-5-15/h1-7,11-12,18,22H,8-10,13-14H2/t18-/m0/s1
InChIKeyQZFYULLQQKZRBY-SFHVURJKSA-N
MW340.85 g/mol
LogP4.26
Rot. Bonds5

About (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine

(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine (PubChem CID 141441299) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine
PubChem CID141441299
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine
SMILESClc1ccc2[nH]cc(CCN3COC[C@@H]3Cc3ccccc3)c2c1
InChIInChI=1S/C20H21ClN2O/c21-17-6-7-20-19(11-17)16(12-22-20)8-9-23-14-24-13-18(23)10-15-4-2-1-3-5-15/h1-7,11-12,18,22H,8-10,13-14H2/t18-/m0/s1
InChIKeyQZFYULLQQKZRBY-SFHVURJKSA-N
XLogP4.26
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-benzylpiperidin-1-yl)butyl]-5-chloro-1H-indole
CID 18330282
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
CID 10545000
(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-cyclopropyl-3H-1,2-oxazole
CID 137499191
1-(3-benzylpiperidin-1-yl)-4-(5-chloro-1H-indol-3-yl)butan-1-one
CID 18330255
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole
CID 72547333

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine?
The IUPAC name of (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine (CID 141441299) is (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine?
The canonical SMILES for (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine is Clc1ccc2[nH]cc(CCN3COC[C@@H]3Cc3ccccc3)c2c1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine?
The InChIKey is QZFYULLQQKZRBY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-17-6-7-20-19(11-17)16(12-22-20)8-9-23-14-24-13-18(23)10-15-4-2-1-3-5-15/h1-7,11-12,18,22H,8-10,13-14H2/t18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine?
(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine has a molecular weight of 340.85 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine is sourced from PubChem (CID 141441299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).