(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole

C11H10ClNO2 — CID 10704329

IUPAC(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole
SMILESClc1ccc([C@H]2CC([C@@H]3CO3)=NO2)cc1
InChIInChI=1S/C11H10ClNO2/c12-8-3-1-7(2-4-8)10-5-9(13-15-10)11-6-14-11/h1-4,10-11H,5-6H2/t10-,11+/m1/s1
InChIKeyQULFHBUBTSWTIM-MNOVXSKESA-N
MW223.66 g/mol
LogP2.56
Rot. Bonds2

About (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole

(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole (PubChem CID 10704329) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole
PubChem CID10704329
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole
SMILESClc1ccc([C@H]2CC([C@@H]3CO3)=NO2)cc1
InChIInChI=1S/C11H10ClNO2/c12-8-3-1-7(2-4-8)10-5-9(13-15-10)11-6-14-11/h1-4,10-11H,5-6H2/t10-,11+/m1/s1
InChIKeyQULFHBUBTSWTIM-MNOVXSKESA-N
XLogP2.56
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)oxolane-3-carbonitrile
CID 139520495
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
(2R,6S)-2-(4-chlorophenyl)-4-methylidene-6-phenyloxane
CID 24774784
(1R)-2-(tert-butylamino)-1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanol
CID 10756392
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866
(2R)-2-(4-chlorophenyl)oxan-4-one
CID 131855614
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
5-phenyl-3-pyrrol-1-yl-4,5-dihydro-1,2-oxazole
CID 158354992
2-phenyloxirane
CID 7276
(4R)-4-(4-chlorophenyl)-1,3,2-dioxathiolane 2-oxide
CID 15273377
4-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 143618145
3-(4-chlorophenyl)oxetane
CID 130113875

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole (CID 10704329) is (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole is Clc1ccc([C@H]2CC([C@@H]3CO3)=NO2)cc1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole?
The InChIKey is QULFHBUBTSWTIM-MNOVXSKESA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-8-3-1-7(2-4-8)10-5-9(13-15-10)11-6-14-11/h1-4,10-11H,5-6H2/t10-,11+/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole?
(5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole has a molecular weight of 223.66 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-3-[(2R)-oxiran-2-yl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10704329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).