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

C11H11BrN2O — CID 117420990

IUPAC5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
SMILESCCc1cc(Br)ccc1-c1cc(N)no1
InChIInChI=1S/C11H11BrN2O/c1-2-7-5-8(12)3-4-9(7)10-6-11(13)14-15-10/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyKGRYPBVULTWUSI-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.25
Rot. Bonds2

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

5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine (PubChem CID 117420990) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
PubChem CID117420990
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine
SMILESCCc1cc(Br)ccc1-c1cc(N)no1
InChIInChI=1S/C11H11BrN2O/c1-2-7-5-8(12)3-4-9(7)10-6-11(13)14-15-10/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyKGRYPBVULTWUSI-UHFFFAOYSA-N
XLogP3.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-6-ethylphenol
CID 136931071
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
5-(4-bromo-2-ethylphenyl)-1,3-oxazole
CID 146035075
3-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476922
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 117384774
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777
5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117493981
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
[5-(4-bromo-2-ethylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81289491
5-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117478358
5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine (CID 117420990) is 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine is CCc1cc(Br)ccc1-c1cc(N)no1.
What is the InChIKey of 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is KGRYPBVULTWUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-7-5-8(12)3-4-9(7)10-6-11(13)14-15-10/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine?
5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 267.13 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-ethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117420990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).