3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine

C11H10BrClN2O — CID 43670956

IUPAC3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(Br)ccc2Cl)noc1N
InChIInChI=1S/C11H10BrClN2O/c1-2-7-10(15-16-11(7)14)8-5-6(12)3-4-9(8)13/h3-5H,2,14H2,1H3
InChIKeyYVURXUZZTUOSCI-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.90
Rot. Bonds2

About 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine

3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 43670956) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID43670956
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(Br)ccc2Cl)noc1N
InChIInChI=1S/C11H10BrClN2O/c1-2-7-10(15-16-11(7)14)8-5-6(12)3-4-9(8)13/h3-5H,2,14H2,1H3
InChIKeyYVURXUZZTUOSCI-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611
3-(5-bromo-2-chlorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80523152
3-(5-bromo-2-chlorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55078987
3-(2-chloro-3-fluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 81454075
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 62505793
4-ethyl-3-(3-ethyl-6-methylpyridazin-4-yl)-1,2-oxazol-5-amine
CID 113439304
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(5-bromo-2-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278949
4-ethyl-3-pyrimidin-5-yl-1,2-oxazol-5-amine
CID 102922020
3-(2,5-dichlorophenyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 113490775
3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 43671006

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine (CID 43670956) is 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2cc(Br)ccc2Cl)noc1N.
What is the InChIKey of 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is YVURXUZZTUOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-7-10(15-16-11(7)14)8-5-6(12)3-4-9(8)13/h3-5H,2,14H2,1H3.
What are the key properties of 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine?
3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 301.57 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenyl)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 43670956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).