4-bromo-5-ethyl-1,2-oxazol-3-amine

C5H7BrN2O — CID 79555954

IUPAC4-bromo-5-ethyl-1,2-oxazol-3-amine
SMILESCCc1onc(N)c1Br
InChIInChI=1S/C5H7BrN2O/c1-2-3-4(6)5(7)8-9-3/h2H2,1H3,(H2,7,8)
InChIKeyUPDQHPLPWKURRZ-UHFFFAOYSA-N
MW191.03 g/mol
LogP1.58
Rot. Bonds1

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

4-bromo-5-ethyl-1,2-oxazol-3-amine (PubChem CID 79555954) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is 4-bromo-5-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-ethyl-1,2-oxazol-3-amine
PubChem CID79555954
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name4-bromo-5-ethyl-1,2-oxazol-3-amine
SMILESCCc1onc(N)c1Br
InChIInChI=1S/C5H7BrN2O/c1-2-3-4(6)5(7)8-9-3/h2H2,1H3,(H2,7,8)
InChIKeyUPDQHPLPWKURRZ-UHFFFAOYSA-N
XLogP1.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(cyclobutylmethyl)-1,2-oxazol-3-amine
CID 103167459
5-ethyloxadiazol-4-amine
CID 148546155
4-bromo-5-[(3,5-dimethyl-1-adamantyl)methyl]-1,2-oxazol-3-amine
CID 79995118
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
4-ethyl-5-propyl-1,2-oxazol-3-amine
CID 66198038
4-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazol-3-amine
CID 66206018
3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105473444
5-butyl-4-iodo-1,2-oxazol-3-amine
CID 79556943
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
3,3'-diethyl-7,7'-spirobi[5,6-dihydro-4H-2,1-benzoxazole]
CID 101357579
4-bromo-5-(3,4-diethoxyphenyl)-1,2-oxazol-3-amine
CID 79556122
3-ethyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
CID 89233364

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-ethyl-1,2-oxazol-3-amine (CID 79555954) is 4-bromo-5-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-ethyl-1,2-oxazol-3-amine is CCc1onc(N)c1Br.
What is the InChIKey of 4-bromo-5-ethyl-1,2-oxazol-3-amine?
The InChIKey is UPDQHPLPWKURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-2-3-4(6)5(7)8-9-3/h2H2,1H3,(H2,7,8).
What are the key properties of 4-bromo-5-ethyl-1,2-oxazol-3-amine?
4-bromo-5-ethyl-1,2-oxazol-3-amine has a molecular weight of 191.03 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79555954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).