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

C10H8BrClFNO — CID 99994023

IUPAC(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(Cl)c1C1=NO[C@@H](CBr)C1
InChIInChI=1S/C10H8BrClFNO/c11-5-6-4-9(14-15-6)10-7(12)2-1-3-8(10)13/h1-3,6H,4-5H2/t6-/m1/s1
InChIKeyFPLIQGAVYRREFU-ZCFIWIBFSA-N
MW292.53 g/mol
LogP3.37
Rot. Bonds2

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

(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 99994023) has the molecular formula C10H8BrClFNO and a molecular weight of 292.53 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID99994023
Molecular FormulaC10H8BrClFNO
Molecular Weight292.53 g/mol
Exact Mass290.95
IUPAC Name(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(Cl)c1C1=NO[C@@H](CBr)C1
InChIInChI=1S/C10H8BrClFNO/c11-5-6-4-9(14-15-6)10-7(12)2-1-3-8(10)13/h1-3,6H,4-5H2/t6-/m1/s1
InChIKeyFPLIQGAVYRREFU-ZCFIWIBFSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chlorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449647
3-(4-Chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
CID 102340043
5-(Bromomethyl)-3-(3-fluorophenyl)-4,5-dihydroisoxazole
CID 102568556
5-(Bromomethyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazole
CID 102568557
3-(2-Chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 86006796
(5R)-5-(chloromethyl)-3-(4-fluorophenyl)-4,5-dihydroisoxazole
CID 21023608
5-(Chloromethyl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 22184740
(5R)-5-(2-chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 58433129
5-(2-Chloro-6-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 68324613
3-[2-Chloro-3-(trifluoromethyl)phenyl]-5-ethyl-4,5-dihydro-1,2-oxazole
CID 90089052
3-[2-Chloro-5-(trifluoromethyl)phenyl]-5-ethyl-4,5-dihydro-1,2-oxazole
CID 90089098
3-(4-Chlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 141321779

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 99994023) is (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1cccc(Cl)c1C1=NO[C@@H](CBr)C1.
What is the InChIKey of (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is FPLIQGAVYRREFU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H8BrClFNO/c11-5-6-4-9(14-15-6)10-7(12)2-1-3-8(10)13/h1-3,6H,4-5H2/t6-/m1/s1.
What are the key properties of (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 292.53 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 99994023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).