4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine

C22H24N2O2 — CID 155934619

IUPAC4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine
SMILESC(#CCN1COCC1c1ccccc1)CN1COCC1c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-9-19(10-4-1)21-15-25-17-23(21)13-7-8-14-24-18-26-16-22(24)20-11-5-2-6-12-20/h1-6,9-12,21-22H,13-18H2
InChIKeyAQRLJVIPPJEDKV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.05
Rot. Bonds4

About 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine

4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine (PubChem CID 155934619) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine.

Molecular Properties

Compound Name4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine
PubChem CID155934619
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine
SMILESC(#CCN1COCC1c1ccccc1)CN1COCC1c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-9-19(10-4-1)21-15-25-17-23(21)13-7-8-14-24-18-26-16-22(24)20-11-5-2-6-12-20/h1-6,9-12,21-22H,13-18H2
InChIKeyAQRLJVIPPJEDKV-UHFFFAOYSA-N
XLogP3.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-2,5-dihydropyrrole
CID 11098198
(4S)-3,4-dibenzyloxathiazolidine 2,2-dioxide
CID 11312727
Ormlfknkrrwlor-irxdydnusa-
CID 15349927
4-Phenyl-3-[(4-phenyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
CID 85273761
(R)-4-Phenyl-3-(2-phenylethynyl)oxazolidin-2-one
CID 11219247
(4R)-3-benzyl-4-phenyl-1,3-oxazolidin-2-one
CID 11357228
R-4-Phenyl-3-(2-propynyl)-2-oxazolidinone
CID 12076125
phenyl N-benzyloxazolidinone
CID 14091547
4-Phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
CID 72756145

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine?
The IUPAC name of 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine (CID 155934619) is 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine.
What is the SMILES notation for 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine?
The canonical SMILES for 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine is C(#CCN1COCC1c1ccccc1)CN1COCC1c1ccccc1.
What is the InChIKey of 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine?
The InChIKey is AQRLJVIPPJEDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-9-19(10-4-1)21-15-25-17-23(21)13-7-8-14-24-18-26-16-22(24)20-11-5-2-6-12-20/h1-6,9-12,21-22H,13-18H2.
What are the key properties of 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine?
4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine has a molecular weight of 348.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[4-(4-phenyl-1,3-oxazolidin-3-yl)but-2-ynyl]-1,3-oxazolidine is sourced from PubChem (CID 155934619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).