(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole

C10H9ClFNO — CID 58433129

IUPAC(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2Cl)C1
InChIInChI=1S/C10H9ClFNO/c1-6-5-9(14-13-6)10-7(11)3-2-4-8(10)12/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyZENZBOXPUWVLEG-SECBINFHSA-N
MW213.64 g/mol
LogP3.32
Rot. Bonds1

About (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole

(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 58433129) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID58433129
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@@H](c2c(F)cccc2Cl)C1
InChIInChI=1S/C10H9ClFNO/c1-6-5-9(14-13-6)10-7(11)3-2-4-8(10)12/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyZENZBOXPUWVLEG-SECBINFHSA-N
XLogP3.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 58433129) is (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@@H](c2c(F)cccc2Cl)C1.
What is the InChIKey of (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is ZENZBOXPUWVLEG-SECBINFHSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-6-5-9(14-13-6)10-7(11)3-2-4-8(10)12/h2-4,9H,5H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole?
(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 213.64 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58433129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).