4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole

C15H11BrClFN2O — CID 154720157

IUPAC4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
SMILESCC1(c2cc(Br)ccc2F)COC(c2cncc(Cl)c2)=N1
InChIInChI=1S/C15H11BrClFN2O/c1-15(12-5-10(16)2-3-13(12)18)8-21-14(20-15)9-4-11(17)7-19-6-9/h2-7H,8H2,1H3
InChIKeyMUZBLQWTLXASMG-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.33
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole

4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole (PubChem CID 154720157) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
PubChem CID154720157
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole
SMILESCC1(c2cc(Br)ccc2F)COC(c2cncc(Cl)c2)=N1
InChIInChI=1S/C15H11BrClFN2O/c1-15(12-5-10(16)2-3-13(12)18)8-21-14(20-15)9-4-11(17)7-19-6-9/h2-7H,8H2,1H3
InChIKeyMUZBLQWTLXASMG-UHFFFAOYSA-N
XLogP4.33
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine
CID 66558613
3-(5-bromo-2-fluorophenyl)-3-chlorooxetane
CID 116876552
(3R)-3-(5-bromo-2-fluorophenyl)-3,6,6-trimethyl-1-methylidene-1-oxo-2H-1,4-thiazin-5-amine
CID 159196026
(2S,4R)-2-(5-bromo-2-fluorophenyl)-N,2,5,5,6-pentamethyl-3,4-dihydropyridin-4-amine
CID 144715692
(2S,5S)-6-amino-2-(5-bromo-2-fluorophenyl)-2,5-dimethyl-3,4-dihydropyridine-5-carbonitrile
CID 126733689
6-(5-bromo-2-fluorophenyl)-3,3,6-trimethyl-2λ6-thia-5-azabicyclo[2.2.0]hex-4-ene 2,2-dioxide
CID 90033412
tert-butyl N-[(3R,6R)-3-(5-bromo-2-fluorophenyl)-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-5-yl]carbamate
CID 135139372
6-(5-bromo-2-fluorophenyl)-2,6-dimethyl-8-methylsulfanyl-5H-imidazo[1,5-a]pyrazin-3-one
CID 121294065
(4S)-4-(2,5-dichlorophenyl)-4-methyl-5H-1,3-oxazol-2-amine
CID 68711373
[5-(5-bromo-2-fluorophenyl)-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-3-yl]carbamic acid
CID 135126002
(5R)-N-[bis(4-methoxyphenyl)-phenylmethyl]-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 66931613
6-(5-bromo-2-fluorophenyl)-1,6-dimethyl-5H-imidazo[1,5-a]pyrazin-8-amine
CID 121293741

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole (CID 154720157) is 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole is CC1(c2cc(Br)ccc2F)COC(c2cncc(Cl)c2)=N1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
The InChIKey is MUZBLQWTLXASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c1-15(12-5-10(16)2-3-13(12)18)8-21-14(20-15)9-4-11(17)7-19-6-9/h2-7H,8H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole?
4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole has a molecular weight of 369.62 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-(5-chloro-3-pyridinyl)-4-methyl-5H-1,3-oxazole is sourced from PubChem (CID 154720157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).