[3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone

C20H21FN2O2 — CID 150818817

IUPAC[3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone
SMILESO=C(N1CC(Cc2ccc(F)cc2)C1)N1OCC[C@H]1c1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-18-8-6-15(7-9-18)12-16-13-22(14-16)20(24)23-19(10-11-25-23)17-4-2-1-3-5-17/h1-9,16,19H,10-14H2/t19-/m0/s1
InChIKeyKJMFYXWDFOWBNM-IBGZPJMESA-N
MW340.40 g/mol
LogP3.80
Rot. Bonds3

About [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone

[3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone (PubChem CID 150818817) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone
PubChem CID150818817
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone
SMILESO=C(N1CC(Cc2ccc(F)cc2)C1)N1OCC[C@H]1c1ccccc1
InChIInChI=1S/C20H21FN2O2/c21-18-8-6-15(7-9-18)12-16-13-22(14-16)20(24)23-19(10-11-25-23)17-4-2-1-3-5-17/h1-9,16,19H,10-14H2/t19-/m0/s1
InChIKeyKJMFYXWDFOWBNM-IBGZPJMESA-N
XLogP3.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diphenyl-1,2-oxazolidine-2-carboxamide
CID 154595659
3-[3-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzoic acid
CID 120691977
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
4-fluoro-6-[[4-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-2,3-dihydroisoindol-1-one
CID 172582213
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
benzyl N-[2-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]cyclohexyl]carbamate
CID 23590709
(3-benzylazetidin-1-yl)-[(3S)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385856
6-[[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-2,3-dihydroisoindol-1-one
CID 172581796
methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate
CID 154847756

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone (CID 150818817) is [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone is O=C(N1CC(Cc2ccc(F)cc2)C1)N1OCC[C@H]1c1ccccc1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone?
The InChIKey is KJMFYXWDFOWBNM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-8-6-15(7-9-18)12-16-13-22(14-16)20(24)23-19(10-11-25-23)17-4-2-1-3-5-17/h1-9,16,19H,10-14H2/t19-/m0/s1.
What are the key properties of [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone?
[3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]azetidin-1-yl]-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 150818817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).